SPP 1807:  Control of London Dispersion Interactions in Molecular Chemistry

• Fachliche Zuordnung: Chemie ; Physik
• Förderung: Förderung von 2015 bis 2023
• Webseite: Zur Homepage
• Projektkennung: Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 255533046

• Erstellungsjahr: 2023

Zusammenfassung der Projektergebnisse

London’sche Dispersionswechselwirkungen sind die treibende Kraft für die Aggregation einzelner Atome und Moleküle. Als eine der grundlegenden Wechselwirkungen der Chemie spielen sie eine Schlüsselrolle für thermodynamische Stabilität, molekulare Erkennung, chemische Selektivität durch Übergangszustandsstabilisierung, Proteinfaltung, Enzymkatalyse usw. Während London’sche Dispersionswechselwirkungen dazu beitragen, etablierte Phänomene wie p-p Wechselwirkungen zu verstehen, sind verwandte s-p- sowie s-s-Systeme deutlich weniger untersucht. Ein Hauptziel dieses Schwerpunktprogramms war die Untersuchung chemischer Gruppen zur systematischen Nutzung London’scher Dispersionswechselwirkungen. Hierdurch konnten zahlreiche neuartige Moleküle synthetisiert und chemische Reaktionen studiert werden. Dies wurde durch ein enges Zusammenspiel von Synthese, Spektroskopie und Theorie erreicht, um Dispersionswechselwirkungen in chemischen (Modell-)Systemen quantitativ zu bestimmen. Der Erfolg des Schwerpunktprogramms lässt sich an der Anzahl herausragender Publikationen im gesamten Ensemble unterschiedlicher Projekte ablesen. Im Rahmen des Programms konnten zahlreiche Herausforderungen überwunden und chemische Bausteine entwickelt werden, welche einen systematischen Einsatz London’scher Dispersionswechselwirkungen ermöglichen. Die hierfür entwickelten Dispersionsenergiedonoren wurden in verschiedenen Bereichen chemischer Forschung untersucht. Folgende Unterthemen können hervorgehoben werden: • Quantifizierung London’scher Dispersionswechelwirkung in neuartigen Molekülen: Untersuchung von Dispersionsenergiedonoren mittels systematischer Studien; Design und Herstellung neuartiger intra- oder intermolekularer, dispersionsstabilisierter Strukturen. • Einfluss von Dispersionswechselwirkungen auf Reaktivität und Katalyse: Übergangszustandsstabilisierung durch Dispersionsenergiedonoren; Einfluss des Lösungsmittels auf Dispersionswechselwirkungen. • Theorie und Spektroskopie als Werkzeuge zur Aufklärung von Dispersionswechselwirkungen: Entwicklung experimenteller und theoretischer Methoden zur Behandlung von Dispersionswechselwirkungen; Molekularspektroskopie zur Quantifizierung von Dispersionseffekten und Validierung theoretischer Ergebnisse. Das Programm führte zu einer Vielzahl international sichtbarer Publikationen mit zahlreichen Zitationen. Wir konnten ein breites Netzwerk mit renommierten Wissenschaftlerinnen und Wissenschaftlern aufbauen, welches zu hervorragenden Kooperationen und exzellentem Austausch führte.

Projektbezogene Publikationen (Auswahl)

• 1, 8-Bis(phenylethynyl)anthracene – gas and solid phase structures. Organic & Biomolecular Chemistry, 13(33), 8893-8905.
  Lamm, Jan-Hendrik; Horstmann, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Zhabanov, Yuriy A.; Tverdova, Natalya V.; Otlyotov, Arseniy A.; Giricheva, Nina I. & Girichev, Georgiy V.
  
• Control over the Hydrogen‐Bond Docking Site in Anisole by Ring Methylation. Angewandte Chemie International Edition, 55(5), 1921-1924.
  Gottschalk, Hannes C.; Altnöder, Jonas; Heger, Matthias & Suhm, Martin A.
  
• Controlling the Subtle Energy Balance in Protic Ionic Liquids: Dispersion Forces Compete with Hydrogen Bonds. Angewandte Chemie International Edition, 54(9), 2792-2795.
  Fumino, Koichi; Fossog, Verlaine; Stange, Peter; Paschek, Dietmar; Hempelmann, Rolf & Ludwig, Ralf
  
• Directional properties of polar paramagnetic molecules subject to congruent electric, magnetic and optical fields. New Journal of Physics, 17(4), 045017.
  Sharma, Ketan & Friedrich, Bretislav
  
• London Dispersion Decisively Contributes to the Thermodynamic Stability of Bulky NHC-Coordinated Main Group Compounds. Journal of Chemical Theory and Computation, 12(1), 231-237.
  Wagner, J. Philipp & Schreiner, Peter R.
  
• London Dispersion in Molecular Chemistry—Reconsidering Steric Effects. Angewandte Chemie International Edition, 54(42), 12274-12296.
  Wagner, J. Philipp & Schreiner, Peter R.
  
• N-Acyl Amino Acid Ligands for Ruthenium(II)-Catalyzed meta-C–H tert-Alkylation with Removable Auxiliaries. Journal of the American Chemical Society, 137(43), 13894-13901.
  Li, Jie; Warratz, Svenja; Zell, Daniel; De Sarkar, Suman; Ishikawa, Eloisa Eriko & Ackermann, Lutz
  
• Polarisabilities of long conjugated chain molecules with density functional response methods: The role of coupled and uncoupled response. The Journal of Chemical Physics, 142(16).
  Heßelmann, Andreas
  
• Single‐Component Phosphinous Acid Ruthenium(II) Catalysts for Versatile C−H Activation by Metal–Ligand Cooperation. Chemistry – A European Journal, 22(4), 1248-1252.
  Zell, Daniel; Warratz, Svenja; Gelman, Dmitri; Garden, Simon J. & Ackermann, Lutz
  
• Supersymmetry and eigensurface topology of the spherical quantum pendulum. Physical Review A, 91(2).
  Schmidt, Burkhard & Friedrich, Bretislav
  
• The effect of dispersion forces on the interaction energies and far infrared spectra of protic ionic liquids. Physical Chemistry Chemical Physics, 17(21), 13790-13793.
  Ludwig, Ralf
  
• To fly or not to fly? The automatic influence of negation on language–space associations. Cognitive Processing, 16(S1), 203-207.
  Heger, Matthias; Altnöder, Jonas; Poblotzki, Anja & Suhm, Martin A.
  
• Vaporization, Sublimation Enthalpy, and Crystal Structures of Imidazo[1, 2-a]pyrazine and Phthalazine. Journal of Chemical & Engineering Data, 61(1), 370-379.
  Mori, Massiel; Rath, Nigam; Gobble, Chase; Chickos, James; Samarov, Artemiy A. & Verevkin, Sergey P.
  
• Water Structure Recovery in Chaotropic Anion Recognition: High‐Affinity Binding of Dodecaborate Clusters to γ‐Cyclodextrin. Angewandte Chemie International Edition, 54(23), 6852-6856.
  Assaf, Khaleel I.; Ural, Merve S.; Pan, Fangfang; Georgiev, Tony; Simova, Svetlana; Rissanen, Kari; Gabel, Detlef & Nau, Werner M.
  
• Water Structure Recovery in Chaotropic Anion Recognition: High‐Affinity Binding of Dodecaborate Clusters to γ‐Cyclodextrin. Angewandte Chemie, 127(23), 6956-6960.
  Assaf, Khaleel I.; Ural, Merve S.; Pan, Fangfang; Georgiev, Tony; Simova, Svetlana; Rissanen, Kari; Gabel, Detlef & Nau, Werner M.
  
• Wetting Camphor: Multi-Isotopic Substitution Identifies the Complementary Roles of Hydrogen Bonding and Dispersive Forces. The Journal of Physical Chemistry Letters, 7(1), 154-160.
  Pérez, Cristóbal; Krin, Anna; Steber, Amanda L.; López, Juan C.; Kisiel, Zbigniew & Schnell, Melanie
  
• 1, 4-Bis-Dipp/Mes-1, 2, 4-Triazolylidenes: Carbene Catalysts That Efficiently Overcome Steric Hindrance in the Redox Esterification of α- and β-Substituted α, β-Enals. Journal of the American Chemical Society, 138(8), 2670-2677.
  Yatham, Veera Reddy; Harnying, Wacharee; Kootz, Darius; Neudörfl, Jörg-M.; Schlörer, Nils E. & Berkessel, Albrecht
  
• A Boron‐Fluorinated Tris(pyrazolyl)borate Ligand (FTp*) and Its Mono‐ and Dinuclear Copper Complexes [Cu(FTp*)2] and [Cu2(FTp*)2]: Synthesis, Structures, and DFT Calculations. Chemistry – A European Journal, 22(23), 7935-7943.
  Augenstein, Timo; Dorner, Franziska; Reiter, Kevin; Wagner, Hanna E.; Garnier, Delphine; Klopper, Wim & Breher, Frank
  
• A General Strategy for the Nickel‐Catalyzed C−H Alkylation of Anilines. Angewandte Chemie International Edition, 55(9), 3153-3157.
  Ruan, Zhixiong; Lackner, Sebastian & Ackermann, Lutz
  
• Accurate dissociation energies of two isomers of the 1-naphthol⋅cyclopropane complex. The Journal of Chemical Physics, 145(16).
  Maity, Surajit; Knochenmuss, Richard; Holzer, Christof; Féraud, Géraldine; Frey, Jann; Klopper, Wim & Leutwyler, Samuel
  
• Accurate Intermolecular Potential for the C60 Dimer: The Performance of Different Levels of Quantum Theory. Journal of Chemical Theory and Computation, 13(1), 274-285.
  Sharapa, Dmitry I.; Margraf, Johannes T.; Hesselmann, Andreas & Clark, Timothy
  
• Anziehung gleich geladener Ionen in ionischen Flüssigkeiten: Kontrolle der Bildung kationischer Cluster über die Wechselwirkungsstärke der Gegenionen. Angewandte Chemie, 129(2), 510-514.
  Strate, Anne; Niemann, Thomas; Michalik, Dirk & Ludwig, Ralf
  
• Aromatic embedding wins over classical hydrogen bonding – a multi-spectroscopic approach for the diphenyl ether–methanol complex. Physical Chemistry Chemical Physics, 18(37), 25975-25983.
  Medcraft, Chris; Zinn, Sabrina; Schnell, Melanie; Poblotzki, Anja; Altnöder, Jonas; Heger, Matthias; Suhm, Martin A.; Bernhard, Dominic; Stamm, Anke; Dietrich, Fabian & Gerhards, Markus
  
• Calculations of magnetically induced current densities: theory and applications. WIREs Computational Molecular Science, 6(6), 639-678.
  Sundholm, Dage; Fliegl, Heike & Berger, Raphael J.F.
  
• Cobalt‐Catalyzed Oxidase C−H/N−H Alkyne Annulation: Mechanistic Insights and Access to Anticancer Agents. Chemistry – A European Journal, 22(20), 6759-6763.
  Mei, Ruhuai; Wang, Hui; Warratz, Svenja; Macgregor, Stuart A. & Ackermann, Lutz
  
• Communication: Structural locking mediated by a water wire: A high-resolution rotational spectroscopy study on hydrated forms of a chiral biphenyl derivative. The Journal of Chemical Physics, 145(16).
  Domingos, Sérgio R.; Pérez, Cristóbal & Schnell, Melanie
  
• Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework. Journal of Chemical Theory and Computation, 12(10), 4778-4792.
  Schneider, Wolfgang B.; Bistoni, Giovanni; Sparta, Manuel; Saitow, Masaaki; Riplinger, Christoph; Auer, Alexander A. & Neese, Frank
  
• Desymmetrization of an Octahedral Coordination Complex Inside a Self‐Assembled Exoskeleton. Chemistry – A European Journal, 22(31), 10791-10795.
  Johnstone, Mark D.; Schwarze, Eike K.; Ahrens, Jennifer; Schwarzer, Dirk; Holstein, Julian J.; Dittrich, Birger; Pfeffer, Frederick M. & Clever, Guido H.
  
• Dispersion and Hydrogen Bonding Rule: Why the Vaporization Enthalpies of Aprotic Ionic Liquids Are Significantly Larger than those of Protic Ionic liquids. Angewandte Chemie International Edition, 55(38), 11682-11686.
  Zaitsau, Dzmitry H.; Emel'yanenko, Vladimir N.; Stange, Peter; Schick, Christoph; Verevkin, Sergey P. & Ludwig, Ralf
  
• Dispersion und Wasserstoffbrücken bestimmend – Warum die Verdampfungsenthalpien von aprotischen größer als die von protischen ionischen Flüssigkeiten sind. Angewandte Chemie, 128(38), 11856-11860.
  Zaitsau, Dzmitry H.; Emel'yanenko, Vladimir N.; Stange, Peter; Schick, Christoph; Verevkin, Sergey P. & Ludwig, Ralf
  
• Dispersion-Corrected Mean-Field Electronic Structure Methods. Chemical Reviews, 116(9), 5105-5154.
  Grimme, Stefan; Hansen, Andreas; Brandenburg, Jan Gerit & Bannwarth, Christoph
  
• Dodecaborate-Functionalized Anchor Dyes for Cyclodextrin-Based Indicator Displacement Applications. Organic Letters, 18(5), 932-935.
  Assaf, Khaleel I.; Suckova, Olga; Al Danaf, Nader; von Glasenapp, Victoria; Gabel, Detlef & Nau, Werner M.
  
• Endohedral dynamics of push–pull rotor-functionalized cages. Chemical Communications, 52(68), 10411-10414.
  Krick, Marcel; Holstein, Julian; Würtele, Christian & Clever, Guido H.
  
• Experimental and Theoretical Determination of Dissociation Energies of Dispersion-Dominated Aromatic Molecular Complexes. Chemical Reviews, 116(9), 5614-5641.
  Frey, Jann A.; Holzer, Christof; Klopper, Wim & Leutwyler, Samuel
  
• Explicitly-correlated ring-coupled-cluster-doubles theory: Including exchange for computations on closed-shell systems. Chemical Physics, 479(c(2016, 11)), 160-169.
  Hehn, Anna-Sophia; Holzer, Christof & Klopper, Wim
  
• Flexibility unleashed in acyclic monoterpenes: conformational space of citronellal revealed by broadband rotational spectroscopy. Physical Chemistry Chemical Physics, 18(25), 16682-16689.
  Domingos, Sérgio R.; Pérez, Cristóbal; Medcraft, Chris; Pinacho, Pablo & Schnell, Melanie
  
• Generation of Complex Azabicycles and Carbobicycles from Two Simple Compounds in a Single Operation through a Metal‐Free Six‐Step Domino Reaction. Chemistry – A European Journal, 22(15), 5189-5197.
  Bock, Christina M.; Parameshwarappa, Gangajji; Bönisch, Simon; Neiss, Christian; Bauer, Walter; Hampel, Frank; Görling, Andreas & Tsogoeva, Svetlana B.
  
• High-Affinity Host-Guest Chemistry of Large-Ring Cyclodextrins. Organic & Biomolecular Chemistry, 14, 7702- 7706.
  Assaf, Khaleel I.; Gabel, Detlef; Zimmermann, Wolfgang & Nau, Werner M.
  
• High-Resolution Rotational Spectroscopy Study of the Smallest Sugar Dimer: Interplay of Hydrogen Bonds in the Glycolaldehyde Dimer. Angewandte Chemie International Edition, 55, 5975-5980
  Zinn, Sabrina; Medcraft, Chris; Betz, Thomas & Schnell, Melanie
  
• Intermolecular dissociation energies of dispersively bound 1-naphthol⋅cycloalkane complexes. The Journal of Chemical Physics, 145(24).
  Maity, Surajit; Ottiger, Philipp; Balmer, Franziska A.; Knochenmuss, Richard & Leutwyler, Samuel
  
• Internal dynamics and guest binding of a sterically overcrowded host. Chemical Science, 7(7), 4676-4684.
  Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger & Clever, Guido H.
  
• Ketone-Assisted Ruthenium(II)-Catalyzed C–H Imidation: Access to Primary Aminoketones by Weak Coordination. ACS Catalysis, 6(5), 3172-3175.
  Raghuvanshi, Keshav; Zell, Daniel; Rauch, Karsten & Ackermann, Lutz
  
• Keto–Enol Thermodynamics of Breslow Intermediates. Journal of the American Chemical Society, 138(15), 5044-5051.
  Paul, Mathias; Breugst, Martin; Neudörfl, Jörg-Martin; Sunoj, Raghavan B. & Berkessel, Albrecht
  
• Local Molecular Orbitals from a Projection onto Localized Centers. Journal of Chemical Theory and Computation, 12(6), 2720-2741.
  Heßelmann, Andreas
  
• Mild C−H/C−C Activation by Z‐Selective Cobalt Catalysis. Angewandte Chemie International Edition, 55(26), 7408-7412.
  Zell, Daniel; Bu, Qingqing; Feldt, Milica & Ackermann, Lutz
  
• Molecular energies from an incremental fragmentation method. The Journal of Chemical Physics, 144(8).
  Meitei, Oinam Romesh & Heßelmann, Andreas
  
• On the Stability of Cyclophane Derivates Using a Molecular Fragmentation Method. ChemPhysChem, 17(23), 3863-3874.
  Meitei, Oinam Romesh & Heßelmann, Andreas
  
• Overcoming the Limitations of C−H Activation with Strongly Coordinating N‐Heterocycles by Cobalt Catalysis. Angewandte Chemie International Edition, 55(35), 10386-10390.
  Wang, Hui; Lorion, Mélanie M. & Ackermann, Lutz
  
• Pair-eigenstates and mutual alignment of coupled molecular rotors in a magnetic field. Physical Chemistry Chemical Physics, 18(19), 13467-13477.
  Sharma, Ketan & Friedrich, Bretislav
  
• Subtle solvation behaviour of a biofuel additive: the methanol complex with 2, 5-dimethylfuran. Physical Chemistry Chemical Physics, 18(39), 27265-27271.
  Poblotzki, Anja; Altnöder, Jonas & Suhm, Martin A.
  
• The Enantioselective Dakin–West Reaction. Angewandte Chemie International Edition, 55(8), 2719-2723.
  Wende, Raffael C.; Seitz, Alexander; Niedek, Dominik; Schuler, Sören M. M.; Hofmann, Christine; Becker, Jonathan & Schreiner, Peter R.
  
• Thermodynamics of Imidazolium-Based Ionic Liquids Containing PF6 Anions. The Journal of Physical Chemistry B, 120(32), 7949-7957.
  Zaitsau, Dzmitry H.; Yermalayeu, Andrei V.; Emel’yanenko, Vladimir N.; Butler, Simon; Schubert, Thomas & Verevkin, Sergey P.
  
• Uncovering Key Structural Features of an Enantioselective Peptide‐Catalyzed Acylation Utilizing Advanced NMR Techniques. Angewandte Chemie International Edition, 55(51), 15754-15759.
  Procházková, Eliška; Kolmer, Andreas; Ilgen, Julian; Schwab, Mira; Kaltschnee, Lukas; Fredersdorf, Maic; Schmidts, Volker; Wende, Raffael C.; Schreiner, Peter R. & Thiele, Christina M.
  
• Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain‐Based Local Pair Natural Orbital Coupled Cluster Study. Chemistry – A European Journal, 23(4), 865-873.
  Bistoni, Giovanni; Auer, Alexander A. & Neese, Frank
  
• Visualizing dispersion interactions through the use of local orbital spaces. Journal of Computational Chemistry, 38(1), 15-23.
  Wuttke, Axel & Mata, Ricardo A.
  
• Water-Induced Structural Changes in Crown Ethers from Broadband Rotational Spectroscopy. The Journal of Physical Chemistry Letters, 7(20), 4053-4058.
  Pérez, Cristóbal; López, Juan C.; Blanco, Susana & Schnell, Melanie
  
• When Like Charged Ions Attract in Ionic Liquids: Controlling the Formation of Cationic Clusters by the Interaction Strength of the Counterions. Angewandte Chemie International Edition, 56(2), 496-500.
  Strate, Anne; Niemann, Thomas; Michalik, Dirk & Ludwig, Ralf
  
• A general intermolecular force field based on tight-binding quantum chemical calculations. The Journal of Chemical Physics, 147(16).
  Grimme, Stefan; Bannwarth, Christoph; Caldeweyher, Eike; Pisarek, Jana & Hansen, Andreas
  
• A Heterobimetallic Pd–Zn Complex: Study of a d8–d10Bond in Solid State, in Solution, and in Silico. Organometallics, 36(8), 1465-1468.
  Oeschger, Raphael J. & Chen, Peter
  
• Alkyl-imidazolium tetrafluoroborates: Vapor pressure, thermodynamics of vaporization, and enthalpies of formation. Journal of Molecular Liquids, 242(c(2017, 9)), 951-957.
  Zaitsau, Dzmitry H.; Yermalayeu, Andrei V.; Schubert, Thomas J.S. & Verevkin, Sergey P.
  
• Attenuation of London Dispersion in Dichloromethane Solutions. Journal of the American Chemical Society, 139(37), 13126-13140.
  Pollice, Robert; Bot, Marek; Kobylianskii, Ilia J.; Shenderovich, Ilya & Chen, Peter
  
• Bi- and tridentate silicon-based acceptor molecules. Zeitschrift für Naturforschung B, 72(6), 383-391.
  Horstmann, Jan; Lamm, Jan-Hendrik; Strothmann, Till; Neumann, Beate; Stammler, Hans-Georg & Mitzel, Norbert W.
  
• Bismuth⋯π arene versus bismuth⋯halide coordination in heterocyclic diorganobismuth(iii) compounds with transannular N→Bi interaction. Dalton Transactions, 46(12), 3953-3962.
  Toma, Ana Maria; Pop, Alexandra; Silvestru, Anca; Rüffer, Tobias; Lang, Heinrich & Mehring, Michael
  
• Chemoselectivity in Esterification Reactions – Size Matters after All. Synthesis, 49(15), 3460-3470.
  Helberg, Julian; Marin-Luna, Marta & Zipse, Hendrik
  
• Cold Snapshot of a Molecular Rotary Motor Captured by High‐Resolution Rotational Spectroscopy. Angewandte Chemie, 129(37), 11361-11364.
  Domingos, Sérgio R.; Cnossen, Arjen; Buma, Wybren J.; Browne, Wesley R.; Feringa, Ben L. & Schnell, Melanie
  
• Communication: Symmetry-adapted perturbation theory with intermolecular induction and dispersion energies from the Bethe–Salpeter equation. The Journal of Chemical Physics, 147(18).
  Holzer, Christof & Klopper, Wim
  
• Controlling the kinetic and thermodynamic stability of cationic clusters by the addition of molecules or counterions. Physical Chemistry Chemical Physics, 19(29), 18854-18862.
  Strate, Anne; Niemann, Thomas & Ludwig, Ralf
  
• Correcting the record: the dimers and trimers of trans-N-methylacetamide. Physical Chemistry Chemical Physics, 19(17), 10727-10737.
  Forsting, Thomas; Gottschalk, Hannes C.; Hartwig, Beppo; Mons, Michel & Suhm, Martin A.
  
• C–F/C–H Functionalization by Manganese(I) Catalysis: Expedient (Per)Fluoro-Allylations and Alkenylations. ACS Catalysis, 7(6), 4209-4213.
  Zell, Daniel; Dhawa, Uttam; Müller, Valentin; Bursch, Markus; Grimme, Stefan & Ackermann, Lutz
  
• Deeper Insight into the Six‐Step Domino Reaction of Aldehydes with Malononitrile and Evaluation of Antiviral and Antimalarial Activities of the Obtained Bicyclic Products. ChemistryOpen, 6(3), 364-374.
  Bock, Christina M.; Parameshwarappa, Gangajji; Bönisch, Simon; Bauer, Walter; Hutterer, Corina; Leidenberger, Maria; Friedrich, Oliver; Marschall, Manfred; Kappes, Barbara; Görling, Andreas & Tsogoeva, Svetlana B.
  
• Distal Weak Coordination of Acetamides in Ruthenium(II)‐Catalyzed C−H Activation Processes. Angewandte Chemie International Edition, 57(3), 765-768.
  Bu, Qingqing; Rogge, Torben; Kotek, Vladislav & Ackermann, Lutz
  
• Extension of the D3 dispersion coefficient model. The Journal of Chemical Physics, 147(3).
  Caldeweyher, Eike; Bannwarth, Christoph & Grimme, Stefan
  
• Facile access to potent antiviral quinazoline heterocycles with fluorescence properties via merging metal-free domino reactions. Nature Communications, 8(1).
  Held, Felix E.; Guryev, Anton A.; Fröhlich, Tony; Hampel, Frank; Kahnt, Axel; Hutterer, Corina; Steingruber, Mirjam; Bahsi, Hanife; von Bojničić-Kninski, Clemens; Mattes, Daniela S.; Foertsch, Tobias C.; Nesterov-Mueller, Alexander; Marschall, Manfred & Tsogoeva, Svetlana B.
  
• Full Selectivity Control in Cobalt(III)‐Catalyzed C−H Alkylations by Switching of the C−H Activation Mechanism. Angewandte Chemie International Edition, 56(35), 10378-10382.
  Zell, Daniel; Bursch, Markus; Müller, Valentin; Grimme, Stefan & Ackermann, Lutz
  
• Gas-phase structure of 1, 8-bis[(trimethylsilyl)ethynyl]anthracene: cog-wheel-type vs. independent internal rotation and influence of dispersion interactions. Physical Chemistry Chemical Physics, 19(20), 13093-13100.
  Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Blomeyer, Sebastian; Mitzel, Norbert W.; Rybkin, Vladimir V.; Zhabanov, Yuriy A.; Tverdova, Natalya V.; Giricheva, Nina I. & Girichev, Georgiy V.
  
• Gold nanoparticle aggregation enables colorimetric sensing assays for enzymatic decarboxylation. Analytical Methods, 9(19), 2784-2787.
  Nilam, Mohamed; Hennig, Andreas; Nau, Werner M. & Assaf, Khaleel I.
  
• Heteroaryl bismuthines: a novel synthetic concept and metal⋯π heteroarene interactions. Dalton Transactions, 46(25), 8269-8278.
  Preda, A. M.; Schneider, W. B.; Rainer, M.; Rüffer, T.; Schaarschmidt, D.; Lang, H. & Mehring, M.
  
• Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide. Catalysis Science & Technology, 7(22), 5343-5353.
  Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca & Pârvulescu, Vasile I.
  
• Hierarchical host–guest assemblies formed on dodecaborate-coated gold nanoparticles. Chemical Communications, 53(33), 4616-4619.
  Assaf, Khaleel I.; Hennig, Andreas; Peng, Shu; Guo, Dong-Sheng; Gabel, Detlef & Nau, Werner M.
  
• HYDROPHOBE Challenge: A Joint Experimental and Computational Study on the Host–Guest Binding of Hydrocarbons to Cucurbiturils, Allowing Explicit Evaluation of Guest Hydration Free-Energy Contributions. The Journal of Physical Chemistry B, 121(49), 11144-11162.
  Assaf, Khaleel I.; Florea, Mara; Antony, Jens; Henriksen, Niel M.; Yin, Jian; Hansen, Andreas; Qu, Zheng-wang; Sure, Rebecca; Klapstein, Dieter; Gilson, Michael K.; Grimme, Stefan & Nau, Werner M.
  
• Influence of size, shape, heteroatom content and dispersive contributions on guest binding in a coordination cage. Chem. Commun., 53(87), 11933-11936.
  Löffler, Susanne; Wuttke, Axel; Zhang, Bo; Holstein, Julian J.; Mata, Ricardo A. & Clever, Guido H.
  
• Intermolecular Interaction Energies from Kohn–Sham Random Phase Approximation Correlation Methods. Non-Covalent Interactions in Quantum Chemistry and Physics (2017), 65-136. Elsevier.
  Heßelmann, Andreas
  
• Intramolecular London Dispersion Interaction Effects on Gas-Phase and Solid-State Structures of Diamondoid Dimers. Journal of the American Chemical Society, 139(46), 16696-16707.
  Fokin, Andrey A.; Zhuk, Tatyana S.; Blomeyer, Sebastian; Pérez, Cristóbal; Chernish, Lesya V.; Pashenko, Alexander E.; Antony, Jens; Vishnevskiy, Yury V.; Berger, Raphael J. F.; Grimme, Stefan; Logemann, Christian; Schnell, Melanie; Mitzel, Norbert W. & Schreiner, Peter R.
  
• Intramolecular π–π Interactions in Flexibly Linked Partially Fluorinated Bisarenes in the Gas Phase. Angewandte Chemie International Edition, 56(43), 13259-13263.
  Blomeyer, Sebastian; Linnemannstöns, Marvin; Nissen, Jan Hendrick; Paulus, Jannik; Neumann, Beate; Stammler, Hans‐Georg & Mitzel, Norbert W.
  
• Intramolekulare π‐π‐Wechselwirkungen in flexibel verbrückten, teilweise fluorierten Bisarenen in der Gasphase. Angewandte Chemie, 129(43), 13443-13447.
  Blomeyer, Sebastian; Linnemannstöns, Marvin; Nissen, Jan Hendrick; Paulus, Jannik; Neumann, Beate; Stammler, Hans‐Georg & Mitzel, Norbert W.
  
• London Dispersion Enables the Shortest Intermolecular Hydrocarbon H···H Contact. Journal of the American Chemical Society, 139(22), 7428-7431.
  Rösel, Sören; Quanz, Henrik; Logemann, Christian; Becker, Jonathan; Mossou, Estelle; Cañadillas-Delgado, Laura; Caldeweyher, Eike; Grimme, Stefan & Schreiner, Peter R.
  
• Low scaling random-phase approximation electron correlation method including exchange interactions using localised orbitals. The Journal of Chemical Physics, 146(17).
  Heßelmann, Andreas
  
• Manganese(I)‐Catalyzed Dispersion‐Enabled C−H/C−C Activation. Chemistry – A European Journal, 23(23), 5443-5447.
  Meyer, Tjark H.; Liu, Weiping; Feldt, Milica; Wuttke, Axel; Mata, Ricardo A. & Ackermann, Lutz
  
• Measuring Intermolecular Binding Energies by Laser Spectroscopy. CHIMIA, 71(1-2), 7.
  Knochenmuss, Richard; Maity, Surajit; Féraud, Géraldine & Leutwyler, Samuel
  
• Mild Cobalt(III)‐Catalyzed Allylative C−F/C−H Functionalizations at Room Temperature. Chemistry – A European Journal, 23(50), 12145-12148.
  Zell, Daniel; Müller, Valentin; Dhawa, Uttam; Bursch, Markus; Presa, Rubén Rubio; Grimme, Stefan & Ackermann, Lutz
  
• Multi-spectroscopic and theoretical analyses on the diphenyl ether–tert-butyl alcohol complex in the electronic ground and electronically excited state. Phys. Chem. Chem. Phys., 19, 18076 -18088
  Bernhard, Dominic; Dietrich, Fabian; Fatima, Mariyam; Perez, Cristobal; Poblotzki, Anja; Jansen, Georg; Suhm, Martin A.; Schnell, Melanie & Gerhards, Markus
  
• Non-Covalent Interactions in Quantum Chemistry and Physics. Elsevier.
  Alberto Otero de la Roza & Gino A. DiLabio (eds.)
  
• Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation. Physical Chemistry Chemical Physics, 19(14), 9374-9391.
  Minenkov, Yury; Bistoni, Giovanni; Riplinger, Christoph; Auer, Alexander A.; Neese, Frank & Cavallo, Luigi
  
• Quasi-relativistic two-component computations of intermolecular dispersion energies. Molecular Physics, 115(21-22), 2775-2781.
  Holzer, Christof & Klopper, Wim
  
• Ruthenium(II)-catalysed remote C–H alkylations as a versatile platform to meta-decorated arenes. Nature Communications, 8(1).
  Li, Jie; Korvorapun, Korkit; De Sarkar, Suman; Rogge, Torben; Burns, David J.; Warratz, Svenja & Ackermann, Lutz
  
• Sizing the role of London dispersion in the dissociation of all-meta tert-butyl hexaphenylethane. Chemical Science, 8(1), 405-410.
  Rösel, Sören; Balestrieri, Ciro & Schreiner, Peter R.
  
• Structure and Gas-Phase Thermochemistry of a Pd/Cu Complex: Studies on a Model for Transmetalation Transition States. Journal of the American Chemical Society, 139(3), 1069-1072.
  Oeschger, Raphael J. & Chen, Peter
  
• Synthesis, structure and dispersion interactions in bis(1, 8-naphthalendiyl)distibine. Dalton Transactions, 46(28), 9227-9234.
  Ganesamoorthy, C.; Heimann, S.; Hölscher, S.; Haack, R.; Wölper, C.; Jansen, G. & Schulz, S.
  
• Temperature‐Dependent Dynamics of Push–Pull Rotor Systems Based on Acridinylidene Cyanoacetic Esters. European Journal of Organic Chemistry, 2017(34), 5141-5146.
  Krick, Marcel; Holstein, Julian J.; Wuttke, Axel; Mata, Ricardo A. & Clever, Guido H.
  
• The Carbon–Nitrogen Bonds in Ammonium Compounds Are Charge Shift Bonds. Chemistry – A European Journal, 23(19), 4659-4668.
  Gershoni‐Poranne, Renana & Chen, Peter
  
• The Relation between Vaporization Enthalpies and Viscosities: Eyring's Theory Applied to Selected Ionic Liquids. ChemPhysChem, 18(10), 1242-1246.
  Bonsa, Anne‐Marie; Paschek, Dietmar; Zaitsau, Dzmitry H.; Emel'yanenko, Vladimir N.; Verevkin, Sergey P. & Ludwig, Ralf
  
• The role of dispersion type metal⋯π interaction in the enantiotropic phase transition of two polymorphs of tris-(thienyl)bismuthine. Dalton Trans., 46(39), 13492-13501.
  Preda, A. M.; Schneider, W. B.; Schaarschmidt, D.; Lang, H.; Mertens, L.; Auer, A. A. & Mehring, M.
  
• The Structure of Diphenyl Ether–Methanol in the Electronically Excited and Ionic Ground States: A Combined IR/UV Spectroscopic and Theoretical Study. ChemPhysChem, 18(24), 3634-3641.
  Bernhard, Dominic; Holzer, Christof; Dietrich, Fabian; Stamm, Anke; Klopper, Wim & Gerhards, Markus
  
• Thermodynamics of imidazolium based ionic liquids with cyano containing anions. Journal of Molecular Liquids, 248(c(2017, 12)), 86-90.
  Zaitsau, Dzmitry H.; Pohako-Esko, Kaija; Arlt, Sören; Emel'yanenko, Vladimir N.; Schulz, Peter S.; Wasserscheid, Peter; Schulz, Axel & Verevkin, Sergey P.
  
• Tipping the Scales: Spectroscopic Tools for Intermolecular Energy Balances. The Journal of Physical Chemistry Letters, 8(22), 5656-5665.
  Poblotzki, Anja; Gottschalk, Hannes C. & Suhm, Martin A.
  
• Trapping Experiments on a Trichlorosilanide Anion: a Key Intermediate of Halogenosilane Chemistry. Inorganic Chemistry, 56(15), 8683-8688.
  Teichmann, Julian; Bursch, Markus; Köstler, Benedikt; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan & Wagner, Matthias
  
• Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach. Journal of Chemical Theory and Computation, 13(7), 3220-3227.
  Bistoni, Giovanni; Riplinger, Christoph; Minenkov, Yury; Cavallo, Luigi; Auer, Alexander A. & Neese, Frank
  
• Triazolylidene Ligands Allow Cobalt-Catalyzed C–H/C–O Alkenyl­ations at Ambient Temperature. Synthesis, 49(15), 3476-3484.
  Sauermann, Nicolas; Loup, Joachim; Kootz, Darius; Yatham, V.; Berkessel, Albrecht & Ackermann, Lutz
  
• Trifluoromethyl: An Amphiphilic Noncovalent Bonding Partner. ChemPhysChem, 18(7), 772-784.
  Esterhuysen, Catharine; Heßelmann, Andreas & Clark, Timothy
  
• Accuracy Assessment of GW Starting Points for Calculating Molecular Excitation Energies Using the Bethe–Salpeter Formalism. Journal of Chemical Theory and Computation, 14(4), 2127-2136.
  Gui, Xin; Holzer, Christof & Klopper, Wim
  
• Bethe–Salpeter correlation energies of atoms and molecules. The Journal of Chemical Physics, 149(14).
  Holzer, Christof; Gui, Xin; Harding, Michael E.; Kresse, Georg; Helgaker, Trygve & Klopper, Wim
  
• C4–H indole functionalisation: precedent and prospects. Chemical Science, 9(18), 4203-4216.
  Kalepu, Jagadeesh; Gandeepan, Parthasarathy; Ackermann, Lutz & Pilarski, Lukasz T.
  
• Cavitation energies can outperform dispersion interactions. Nature Chemistry, 10(12), 1252-1257.
  He, Suhang; Biedermann, Frank; Vankova, Nina; Zhechkov, Lyuben; Heine, Thomas; Hoffman, Roy E.; De Simone, Alfonso; Duignan, Timothy T. & Nau, Werner M.
  
• Cobalt-catalyzed C–H cyanations: Insights into the reaction mechanism and the role of London dispersion. Beilstein Journal of Organic Chemistry, 14(c(2018, 6, 25)), 1537-1545.
  Detmar, Eric; Müller, Valentin; Zell, Daniel; Ackermann, Lutz & Breugst, Martin
  
• Communication: A hybrid Bethe–Salpeter/time-dependent density-functional-theory approach for excitation energies. The Journal of Chemical Physics, 149(10).
  Holzer, Christof & Klopper, Wim
  
• Dithiocarboxylic Acids: An Old Theme Revisited and Augmented by New Preparative, Spectroscopic and Structural Facts. Chemistry – A European Journal, 24(11), 2626-2633.
  Grote, Johanna; Friedrich, Felix; Berthold, Katarína; Hericks, Loreen; Neumann, Beate; Stammler, Hans‐Georg & Mitzel, Norbert W.
  
• Effect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition Study. Journal of Chemical Theory and Computation, 15(1), 215-228.
  Altun, Ahmet; Neese, Frank & Bistoni, Giovanni
  
• Electrooxidative Rhodium‐Catalyzed C−H/C−H Activation: Electricity as Oxidant for Cross‐Dehydrogenative Alkenylation. Angewandte Chemie International Edition, 57(20), 5828-5832.
  Qiu, Youai; Kong, Wei‐Jun; Struwe, Julia; Sauermann, Nicolas; Rogge, Torben; Scheremetjew, Alexej & Ackermann, Lutz
  
• Evaluation of dispersion type metal···π arene interaction in arylbismuth compounds – an experimental and theoretical study. Beilstein Journal of Organic Chemistry, 14(c(2018, 8, 15)), 2125-2145.
  Preda, Ana-Maria; Krasowska, Małgorzata; Wrobel, Lydia; Kitschke, Philipp; Andrews, Phil C; MacLellan, Jonathan G; Mertens, Lutz; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A & Mehring, Michael
  
• Finding the best density functional approximation to describe interaction energies and structures of ionic liquids in molecular dynamics studies. The Journal of Chemical Physics, 148(19).
  Perlt, Eva; Ray, Promit; Hansen, Andreas; Malberg, Friedrich; Grimme, Stefan & Kirchner, Barbara
  
• Formation of Agostic Structures Driven by London Dispersion. Angewandte Chemie International Edition, 57(17), 4760-4764.
  Lu, Qing; Neese, Frank & Bistoni, Giovanni
  
• High‐Level Ab Initio Calculations of Intermolecular Interactions: Heavy Main‐Group Element π‐Interactions. Chemistry – A European Journal, 24(40), 10238-10245.
  Krasowska, Małgorzata; Schneider, Wolfgang B.; Mehring, Michael & Auer, Alexander A.
  
• Host–Guest Chemistry of Carboranes: Synthesis of Carboxylate Derivatives and Their Binding to Cyclodextrins. Chemistry – A European Journal, 24(49), 12970-12975.
  Nekvinda, Jan; Grüner, Bohumír; Gabel, Detlef; Nau, Werner M. & Assaf, Khaleel I.
  
• Imidazolium-Based Ionic Liquids Containing the Trifluoroacetate Anion: Thermodynamic Study. Journal of Solution Chemistry, 47(5), 892-905.
  Zaitsau, Dzmitry H. & Verevkin, Sergey P.
  
• Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study. Beilstein Journal of Organic Chemistry, 14(c(2018, 4, 25)), 919-929.
  Altun, Ahmet; Neese, Frank & Bistoni, Giovanni
  
• London Dispersion Interactions in Pnictogen Cations [ECl2]+ and [E=E]2+ (E=P, As, Sb) Supported by Anionic N‐Heterocyclic Carbenes. Chemistry – A European Journal, 24(71), 18922-18932.
  Ho, Luong Phong; Nasr, Alexandre; Jones, Peter G.; Altun, Ahmet; Neese, Frank; Bistoni, Giovanni & Tamm, Matthias
  
• Molecular Systems for the Quantification of London Dispersion Interactions. European Journal of Organic Chemistry, 2019(2-3), 295-302.
  Strauss, Marcel A. & Wegner, Hermann A.
  
• Orthogonal Molecular Recognition of Chaotropic and Hydrophobic Guests Enables Supramolecular Architectures. ChemNanoMat, 5(1), 124-129.
  Wang, Wenjing; Wang, Xiaoqiang; Xiang, Changjun; Zhou, Xiaohai; Gabel, Detlef; Nau, Werner M.; Assaf, Khaleel I. & Zhang, Haibo
  
• Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives. Journal of the American Chemical Society, 140(43), 14421-14432.
  Rösel, Sören; Becker, Jonathan; Allen, Wesley D. & Schreiner, Peter R.
  
• Regiochemical Control in Triptycene Formation—An Exercise in Subtle Balancing Multiple Factors. ChemistryOpen, 7(1), 111-114.
  Lamm, Jan‐Hendrik; Vishnevskiy, Yury V.; Ziemann, Eric; Neumann, Beate; Stammler, Hans‐Georg & Mitzel, Norbert W.
  
• Size-dependent rate acceleration in the silylation of secondary alcohols: the bigger the faster. Chemical Science, 9(31), 6509-6515.
  Marin-Luna, Marta; Pölloth, Benjamin; Zott, Fabian & Zipse, Hendrik
  
• Substituent Effects in the Silylation of Secondary Alcohols: A Mechanistic Study. Chemistry – A European Journal, 24(56), 15052-15058.
  Marin‐Luna, Marta; Patschinski, Pascal & Zipse, Hendrik
  
• Supramolecular assemblies through host–guest complexation between cucurbiturils and an amphiphilic guest molecule. Chemical Communications, 54(14), 1734-1737.
  Assaf, Khaleel I.; Alnajjar, Mohammad A. & Nau, Werner M.
  
• The Chaotropic Effect as an Assembly Motif in Chemistry. Angewandte Chemie International Edition, 57(43), 13968-13981.
  Assaf, Khaleel I. & Nau, Werner M.
  
• The chaotropic effect as an orthogonal assembly motif for multi-responsive dodecaborate-cucurbituril supramolecular networks. Chemical Communications, 54(17), 2098-2101.
  Wang, Wenjing; Wang, Xiaoqiang; Cao, Jin; Liu, Jun; Qi, Bin; Zhou, Xiaohai; Zhang, Shuai; Gabel, Detlef; Nau, Werner M.; Assaf, Khaleel I. & Zhang, Haibo
  
• The Effect of Dispersion on the Structure of Diphenyl Ether Aggregates. Angewandte Chemie International Edition, 57(30), 9534-9537.
  Dietrich, Fabian; Bernhard, Dominic; Fatima, Mariyam; Pérez, Cristóbal; Schnell, Melanie & Gerhards, Markus
  
• The furan microsolvation blind challenge for quantum chemical methods: First steps. The Journal of Chemical Physics, 148(1).
  Gottschalk, Hannes C.; Poblotzki, Anja; Suhm, Martin A.; Al-Mogren, Muneerah M.; Antony, Jens; Auer, Alexander A.; Baptista, Leonardo; Benoit, David M.; Bistoni, Giovanni; Bohle, Fabian; Dahmani, Rahma; Firaha, Dzmitry; Grimme, Stefan; Hansen, Andreas; Harding, Michael E.; Hochlaf, Majdi; Holzer, Christof; Jansen, Georg; Klopper, Wim; ... & Mata, Ricardo A.
  
• The phenyl vinyl ether–methanol complex: a model system for quantum chemistry benchmarking. Beilstein Journal of Organic Chemistry, 14(c(2018, 7, 2)), 1642-1654.
  Bernhard, Dominic; Dietrich, Fabian; Fatima, Mariyam; Pérez, Cristóbal; Gottschalk, Hannes C; Wuttke, Axel; Mata, Ricardo A; Suhm, Martin A; Schnell, Melanie & Gerhards, Markus
  
• Thermochemistry of drugs: experimental and theoretical study of analgesics. Structural Chemistry, 30(1), 247-261.
  Nagrimanov, Ruslan N.; Ziganshin, Marat A.; Solomonov, Boris N. & Verevkin, Sergey P.
  
• Thermodynamic properties of selenoether-functionalized ionic liquids and their use for the synthesis of zinc selenide nanoparticles. Dalton Transactions, 47(14), 5083-5097.
  Klauke, Karsten; Zaitsau, Dzmitry H.; Bülow, Mark; He, Li; Klopotowski, Maximilian; Knedel, Tim-Oliver; Barthel, Juri; Held, Christoph; Verevkin, Sergey P. & Janiak, Christoph
  
• Thermodynamics and proton activities of protic ionic liquids with quantum cluster equilibrium theory. The Journal of Chemical Physics, 148(19).
  Ingenmey, Johannes; von Domaros, Michael; Perlt, Eva; Verevkin, Sergey P. & Kirchner, Barbara
  
• Thermodynamics of Imidazolium‐Based Ionic Liquids Containing the Trifluoromethanesulfonate Anion. Chemical Engineering & Technology, 41(8), 1604-1612.
  Zaitsau, Dzmitry H.; Yermalayeu, Andrei V.; Emel'yanenko, Vladimir N. & Verevkin, Sergey P.
  
• A generally applicable atomic-charge dependent London dispersion correction. The Journal of Chemical Physics, 150(15).
  Caldeweyher, Eike; Ehlert, Sebastian; Hansen, Andreas; Neugebauer, Hagen; Spicher, Sebastian; Bannwarth, Christoph & Grimme, Stefan
  
• Arene‐Free Ruthenium(II/IV)‐Catalyzed Bifurcated Arylation for Oxidative C−H/C−H Functionalizations. Angewandte Chemie International Edition, 58(44), 15640-15645.
  Rogge, Torben & Ackermann, Lutz
  
• Balancing Donor‐Acceptor and Dispersion Effects in Heavy Main Group Element π Interactions: Effect of Substituents on the Pnictogen⋅⋅⋅π Arene Interaction. ChemPhysChem, 20(19), 2539-2552.
  Krasowska, Małgorzata; Fritzsche, Ana‐Maria; Mehring, Michael & Auer, Alexander A.
  
• Breslow Intermediates from a Thiazolin‐2‐ylidene and Fluorinated Aldehydes: XRD and Solution‐Phase NMR Spectroscopic Characterization. Angewandte Chemie International Edition, 58(31), 10596-10600.
  Paul, Mathias; Neudörfl, Jörg‐M. & Berkessel, Albrecht
  
• Breslow Intermediates from a Thiazolin‐2‐ylidene and Fluorinated Aldehydes: XRD and Solution‐Phase NMR Spectroscopic Characterization. Angewandte Chemie International Edition, 58(31), 10596-10600.
  Paul, Mathias; Neudörfl, Jörg‐M. & Berkessel, Albrecht
  
• Compensation of London Dispersion in the Gas Phase and in Aprotic Solvents. Angewandte Chemie International Edition, 58(40), 14281-14288.
  Pollice, Robert; Fleckenstein, Felix; Shenderovich, Ilya & Chen, Peter
  
• Cryogenic ion vibrational predissociation (CIVP) spectroscopy of a gas-phase molecular torsion balance to probe London dispersion forces in large molecules. The Journal of Chemical Physics, 151(23).
  Tsybizova, Alexandra; Fritsche, Lukas; Gorbachev, Vladimir; Miloglyadova, Larisa & Chen, Peter
  
• Dispersion Forces Drive the Formation of Uranium–Alkane Adducts. Journal of the American Chemical Society, 142(4), 1864-1870.
  Jung, Julie; Löffler, Sascha T.; Langmann, Jan; Heinemann, Frank W.; Bill, Eckhard; Bistoni, Giovanni; Scherer, Wolfgang; Atanasov, Mihail; Meyer, Karsten & Neese, Frank
  
• Dispersion-controlled docking preference: multi-spectroscopic study on complexes of dibenzofuran with alcohols and water. Physical Chemistry Chemical Physics, 21(29), 16032-16046.
  Bernhard, D.; Fatima, M.; Poblotzki, A.; Steber, A. L.; Pérez, C.; Suhm, M. A.; Schnell, M. & Gerhards, M.
  
• Dissecting the Vaporization Enthalpies of Ionic Liquids by Exclusively Experimental Methods: Coulomb Interaction, Hydrogen Bonding, and Dispersion Forces. Angewandte Chemie International Edition, 58(25), 8589-8592.
  Zaitsau, Dzmitry H.; Emel'yanenko, Vladimir N.; Stange, Peter; Verevkin, Sergey P. & Ludwig, Ralf
  
• Efficient structural and energetic screening of fullerene encapsulation in a large supramolecular double decker macrocycle. Journal of the Serbian Chemical Society, 84(8), 837-844.
  Bohle, Fabian & Grimme, Stefan
  
• Enantioselective Aluminum‐Free Alkene Hydroarylations through C−H Activation by a Chiral Nickel/JoSPOphos Manifold. Angewandte Chemie International Edition, 58(6), 1749-1753.
  Loup, Joachim; Müller, Valentin; Ghorai, Debasish & Ackermann, Lutz
  
• Enantioselective Aluminum‐Free Alkene Hydroarylations through C−H Activation by a Chiral Nickel/JoSPOphos Manifold. Angewandte Chemie International Edition, 58(6), 1749-1753.
  Loup, Joachim; Müller, Valentin; Ghorai, Debasish & Ackermann, Lutz
  
• Explicitly Correlated Dispersion and Exchange Dispersion Energies in Symmetry-Adapted Perturbation Theory. Journal of Chemical Theory and Computation, 15(11), 5965-5986.
  Kodrycka, Monika; Holzer, Christof; Klopper, Wim & Patkowski, Konrad
  
• Exploring London Dispersion and Solvent Interactions at Alkyl–Alkyl Interfaces Using Azobenzene Switches. Angewandte Chemie International Edition, 58(51), 18552-18556.
  Strauss, Marcel A. & Wegner, Hermann A.
  
• GW quasiparticle energies of atoms in strong magnetic fields. The Journal of Chemical Physics, 150(21).
  Holzer, Christof; Teale, Andrew M.; Hampe, Florian; Stopkowicz, Stella; Helgaker, Trygve & Klopper, Wim
  
• Halogen Bonds of Halotetrafluoropyridines in Crystals and Co‐crystals with Benzene and Pyridine. Chemistry – A European Journal, 25(30), 7339-7350.
  Schwabedissen, Jan; Trapp, Pia C.; Stammler, Hans‐Georg; Neumann, Beate; Lamm, Jan‐Hendrik; Vishnevskiy, Yury V.; Körte, Leif A. & Mitzel, Norbert W.
  
• Heterogeneous Clusters of Phthalocyanine and Water Prepared and Probed in Superfluid Helium Nanodroplets. The Journal of Physical Chemistry A, 123(46), 10057-10064.
  Fischer, J.; Schlaghaufer, F.; Lottner, E.-M.; Slenczka, A.; Christiansen, L.; Stapelfeldt, H.; Karra, M.; Friedrich, B.; Mullan, Th.; Schütz, M. & Usvyat, D.
  
• HFLD: A Nonempirical London Dispersion-Corrected Hartree–Fock Method for the Quantification and Analysis of Noncovalent Interaction Energies of Large Molecular Systems. Journal of Chemical Theory and Computation, 15(11), 5894-5907.
  Altun, Ahmet; Neese, Frank & Bistoni, Giovanni
  
• Hydrophobic but Water-Friendly: Favorable Water–Perfluoromethyl Interactions Promote Hydration Shell Defects. Journal of the American Chemical Society, 141(40), 15856-15868.
  Robalo, João R.; Streacker, Louis M.; Mendes de Oliveira, Denilson; Imhof, Petra; Ben-Amotz, Dor & Verde, Ana Vila
  
• Imidazolium-based ionic liquids containing FAP anion: Thermodynamic study. Journal of Molecular Liquids, 287(c(2019, 8)), 110959.
  Zaitsau, Dzmitry H. & Verevkin, Sergey P.
  
• In Situ Switching of Site-Selectivity with Light in the Acetylation of Sugars with Azopeptide Catalysts. The Journal of Organic Chemistry, 85(4), 1835-1846.
  Niedek, Dominik; Erb, Frederik R.; Topp, Christopher; Seitz, Alexander; Wende, Raffael C.; Eckhardt, André K.; Kind, Jonas; Herold, Dominik; Thiele, Christina M. & Schreiner, Peter R.
  
• Ionized, electron-attached, and excited states of molecular systems with spin–orbit coupling: Two-component GW and Bethe–Salpeter implementations. The Journal of Chemical Physics, 150(20).
  Holzer, Christof & Klopper, Wim
  
• Isolating the role of hydrogen bonding in hydroxyl-functionalized ionic liquids by means of vaporization enthalpies, infrared spectroscopy and molecular dynamics simulations. Physical Chemistry Chemical Physics, 21(36), 20308-20314.
  Zaitsau, Dzmitry H.; Neumann, Jan; Niemann, Thomas; Strate, Anne; Paschek, Dietmar; Verevkin, Sergey P. & Ludwig, Ralf
  
• Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework. Journal of Chemical Theory and Computation, 15(3), 1616-1632.
  Altun, Ahmet; Saitow, Masaaki; Neese, Frank & Bistoni, Giovanni
  
• London dispersion effects in the coordination and activation of alkanes in σ-complexes: a local energy decomposition study. Physical Chemistry Chemical Physics, 21(22), 11569-11577.
  Lu, Qing; Neese, Frank & Bistoni, Giovanni
  
• Mössbauer and mass spectrometry support for iron(ii) catalysts in enantioselective C–H activation. Dalton Transactions, 48(16), 5135-5139.
  Loup, Joachim; Parchomyk, Tobias; Lülf, Stefan; Demeshko, Serhiy; Meyer, Franc; Koszinowski, Konrad & Ackermann, Lutz
  
• Origin of the Immiscibility of Alkanes and Perfluoroalkanes. Journal of the American Chemical Society, 141(8), 3489-3506.
  Pollice, Robert & Chen, Peter
  
• Relaxation Dispersion NMR to Reveal Fast Dynamics in Brønsted Acid Catalysis: Influence of Sterics and H-Bond Strength on Conformations and Substrate Hopping. Journal of the American Chemical Society, 141(41), 16398-16407.
  Lokesh, N.; Hioe, Johnny; Gramüller, Johannes & Gschwind, Ruth M.
  
• Resolution of minor size differences in a family of heteroleptic coordination cages by trapped ion mobility ESI-MS. Dalton Transactions, 48(29), 11070-11075.
  Ebbert, Kristina E.; Schneider, Laura; Platzek, André; Drechsler, Christoph; Chen, Bin; Rudolf, Robin & Clever, Guido H.
  
• Role of London Dispersion Interactions in Ga-Substituted Dipnictenes. Organometallics, 38(7), 1640-1647.
  Song, Lijuan; Schoening, Juliane; Wölper, Christoph; Schulz, Stephan & Schreiner, Peter R.
  
• Rotational Signatures of Dispersive Stacking in the Formation of Aromatic Dimers. Angewandte Chemie International Edition, 58(10), 3108-3113.
  Fatima, Mariyam; Steber, Amanda L.; Poblotzki, Anja; Pérez, Cristóbal; Zinn, Sabrina & Schnell, Melanie
  
• Rotational Signatures of Dispersive Stacking in the Formation of Aromatic Dimers. Angewandte Chemie International Edition, 58(10), 3108-3113.
  Fatima, Mariyam; Steber, Amanda L.; Poblotzki, Anja; Pérez, Cristóbal; Zinn, Sabrina & Schnell, Melanie
  
• Syntheses, Structures, and Bonding Analyses of Carbene‐Stabilized Stibinidenes. European Journal of Inorganic Chemistry, 2019(11-12), 1669-1678.
  Krüger, Julia; Wölper, Christoph; John, Lukas; Song, Lijuan; Schreiner, Peter R. & Schulz, Stephan
  
• The Chiral Trimer and a Metastable Chiral Dimer of Achiral Hexafluoroisopropanol: A Multi‐Messenger Study. Angewandte Chemie International Edition, 58(15), 5080-5084.
  Oswald, Sönke; Seifert, Nathan A.; Bohle, Fabian; Gawrilow, Maxim; Grimme, Stefan; Jäger, Wolfgang; Xu, Yunjie & Suhm, Martin A.
  
• The nature of interactions of benzene with CF3I and CF3CH2I. Chemical Communications, 55(2), 175-178.
  Bujak, Maciej; Stammler, Hans-Georg; Blomeyer, Sebastian & Mitzel, Norbert W.
  
• Vaporization thermodynamics of ionic liquids with tetraalkylphosphonium cations. The Journal of Chemical Thermodynamics, 130(c(2019, 1)), 204-212.
  Zaitsau, Dzmitry H.; Plechkova, Natalia & Verevkin, Sergey P.
  
• A New Mechanically‐Interlocked [Pd2L4] Cage Motif by Dimerization of two Peptide‐based Lemniscates. Angewandte Chemie International Edition, 59(50), 22489-22493.
  Schulte, Thorben R.; Holstein, Julian J.; Schneider, Laura; Adam, Abdulselam; Haberhauer, Gebhard & Clever, Guido H.
  
• A silicon–carbonyl complex stable at room temperature. Nature Chemistry, 12(7), 608-614.
  Ganesamoorthy, Chelladurai; Schoening, Juliane; Wölper, Christoph; Song, Lijuan; Schreiner, Peter R. & Schulz, Stephan
  
• Aryl–Aryl Interactions in (Aryl‐Perhalogenated) 1, 2‐Diaryldisilanes. Chemistry – A European Journal, 26(10), 2169-2173.
  Linnemannstöns, Marvin; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans‐Georg; Berger, Raphael J. F. & Mitzel, Norbert W.
  
• Dissecting intermolecular interactions in the condensed phase of ibuprofen and related compounds: the specific role and quantification of hydrogen bonding and dispersion forces. Physical Chemistry Chemical Physics, 22(9), 4896-4904.
  Emel’yanenko, V. N.; Stange, P.; Feder-Kubis, J.; Verevkin, S. P. & Ludwig, R.
  
• Enantiospecific Synthesis of Nepetalactones by One-Step Oxidative NHC Catalysis. Organic Letters, 22(2), 386-390.
  Harnying, Wacharee; Neudörfl, Jörg-M. & Berkessel, Albrecht
  
• Error or exemption to the rule? Development of a diagnostic check for thermochemistry of metal–organic compounds. RSC Advances, 10(63), 38158-38173.
  Zherikova, Kseniya V. & Verevkin, Sergey P.
  
• Evaluation of bismuth-based dispersion energy donors – synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical Chemistry Chemical Physics, 22(18), 10189-10211.
  Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A. & Mehring, Michael
  
• Heat capacities of ionic liquids based on tetrahydrothiophenium cation and NTf2 anion. Thermochimica Acta, 686(c(2020, 4)), 178547.
  Zaitsau, Dzmitry H.; Schmitz, Alexa; Janiak, Christoph & Verevkin, Sergey P.
  
• Inter‐ and Intramolecular Aryl–Aryl Interactions in Partially Fluorinated Ethylenedioxy‐bridged Bisarenes**. Chemistry – A European Journal, 26(68), 16111-16121.
  Weddeling, Jan‐Henrik; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans‐Georg & Mitzel, Norbert W.
  
• Intramolecular London Dispersion Interactions Do Not Cancel in Solution. Journal of the American Chemical Society, 143(1), 41-45.
  Schümann, Jan M.; Wagner, J. Philipp; Eckhardt, André K.; Quanz, Henrik & Schreiner, Peter R.
  
• London Dispersion and Hydrogen‐Bonding Interactions in Bulky Molecules: The Case of Diadamantyl Ether Complexes. Chemistry – A European Journal, 26(47), 10817-10825.
  Quesada Moreno, María Mar; Pinacho, Pablo; Pérez, Cristóbal; Šekutor, Marina; Schreiner, Peter R. & Schnell, Melanie
  
• London Dispersion in Alkane Solvents. Angewandte Chemie International Edition, 60(2), 779-786.
  Strauss, Marcel A. & Wegner, Hermann A.
  
• London dispersion-driven hetero-aryl–aryl interactions in 1, 2-diaryldisilanes. Chemical Communications, 56(15), 2252-2255.
  Linnemannstöns, Marvin; Schwabedissen, Jan; Schultz, Aaron A.; Neumann, Beate; Stammler, Hans-Georg; Berger, Raphael J. F. & Mitzel, Norbert W.
  
• Molecules Forced to Interact: Benzene and Pentafluoroiodobenzene. Crystal Growth & Design, 20(5), 3217-3223.
  Bujak, Maciej; Stammler, Hans-Georg & Mitzel, Norbert W.
  
• Pinacolone-Alcohol Gas-Phase Solvation Balances as Experimental Dispersion Benchmarks. Molecules, 25(21), 5095.
  Zimmermann, Charlotte; Fischer, Taija L. & Suhm, Martin A.
  
• Quantifying how step-wise fluorination tunes local solute hydrophobicity, hydration shell thermodynamics and the quantum mechanical contributions of solute–water interactions. Physical Chemistry Chemical Physics, 22(40), 22997-23008.
  Robalo, João R.; Mendes de Oliveira, Denilson; Imhof, Petra; Ben-Amotz, Dor & Vila Verde, Ana
  
• Quasirelativistic two-component core excitations and polarisabilities from a damped-response formulation of the Bethe–Salpeter equation. Molecular Physics, 118(21-22), e1755064.
  Kehry, Max; Franzke, Yannick J.; Holzer, Christof & Klopper, Wim
  
• Substrate and product binding inside a stimuli-responsive coordination cage acting as a singlet oxygen photosensitizer. Dalton Transactions, 49(27), 9404-9410.
  Pullen, Sonja; Löffler, Susanne; Platzek, André; Holstein, Julian J. & Clever, Guido H.
  
• Symmetry vs. asymmetry – Enthalpic differences in imidazolium-based ionic liquids. Journal of Molecular Liquids, 317(c(2020, 11)), 114150.
  Yermalayeu, Andrei V.; Varfolomeev, Mikhail A. & Verevkin, Sergey P.
  
• Synthesis and Structural Diversity of Triaryl(phenylethyl)silanes. Synthesis (c(2020, 1, 13)).
  Linnemannstöns, Marvin; Neumann, Beate; Stammler, Hans-Georg & Mitzel, Norbert W.
  
• Tetrahydrothiophene‐Based Ionic Liquids: Synthesis and Thermodynamic Characterizations. ChemistryOpen, 10(2), 153-163.
  Schmitz, Alexa; Bülow, Mark; Schmidt, Dana; Zaitsau, Dzmitry H.; Junglas, Fabian; Knedel, Tim‐Oliver; Verevkin, Sergey P.; Held, Christoph & Janiak, Christoph
  
• The first microsolvation step for furans: New experiments and benchmarking strategies. The Journal of Chemical Physics, 152(16).
  Gottschalk, Hannes C.; Poblotzki, Anja; Fatima, Mariyam; Obenchain, Daniel A.; Pérez, Cristóbal; Antony, Jens; Auer, Alexander A.; Baptista, Leonardo; Benoit, David M.; Bistoni, Giovanni; Bohle, Fabian; Dahmani, Rahma; Firaha, Dzmitry; Grimme, Stefan; Hansen, Andreas; Harding, Michael E.; Hochlaf, Majdi; Holzer, Christof; Jansen, Georg; ... & Schnell, Melanie
  
• The Nature of Chalcogen‐Bonding‐Type Tellurium–Nitrogen Interactions: A First Experimental Structure from the Gas Phase. Angewandte Chemie International Edition, 60(3), 1519-1523.
  Glodde, Timo; Vishnevskiy, Yury V.; Zimmermann, Lars; Stammler, Hans‐Georg; Neumann, Beate & Mitzel, Norbert W.
  
• The reduced cohesion of homoconfigurational 1, 2-diols. Physical Chemistry Chemical Physics, 22(3), 1122-1136.
  Hartwig, Beppo; Lange, Manuel; Poblotzki, Anja; Medel, Robert; Zehnacker, Anne & Suhm, Martin A.
  
• The Size‐Accelerated Kinetic Resolution of Secondary Alcohols. Angewandte Chemie International Edition, 60(2), 774-778.
  Pölloth, Benjamin; Sibi, Mukund P. & Zipse, Hendrik
  
• Three-dimensional docking of alcohols to ketones: an experimental benchmark based on acetophenone solvation energy balances. Physical Chemistry Chemical Physics, 22(5), 2870-2877.
  Zimmermann, C.; Gottschalk, H. C. & Suhm, M. A.
  
• Understanding benzyl alcohol aggregation by chiral modification: the pairing step. Physical Chemistry Chemical Physics, 22(44), 25538-25551.
  Medel, Robert & Suhm, Martin A.
  
• Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational Methods. Journal of the American Chemical Society, 142(7), 3613-3625.
  Yepes, Diana; Neese, Frank; List, Benjamin & Bistoni, Giovanni
  
• Vaporization Thermodynamics of 1-Ethyl-3-Methylimidazolium Diethyl Phosphate. Russian Journal of Inorganic Chemistry, 65(5), 699-702.
  Zaitsau, D. H. & Verevkin, S. P.
  
• Acyl Donor Intermediates in N‐Heterocyclic Carbene Catalysis: Acyl Azolium or Azolium Enolate?. Angewandte Chemie, 133(9), 4557-4561.
  Biswas, Animesh; Neudörfl, Jörg‐M.; Schlörer, Nils E. & Berkessel, Albrecht
  
• Chemodivergent manganese-catalyzed C–H activation: modular synthesis of fluorogenic probes. Nature Communications, 12(1).
  Kaplaneris, Nikolaos; Son, Jongwoo; Mendive-Tapia, Lorena; Kopp, Adelina; Barth, Nicole D.; Maksso, Isaac; Vendrell, Marc & Ackermann, Lutz
  
• C–H activation. Nature Reviews Methods Primers, 1(1).
  Rogge, Torben; Kaplaneris, Nikolaos; Chatani, Naoto; Kim, Jinwoo; Chang, Sukbok; Punji, Benudhar; Schafer, Laurel L.; Musaev, Djamaladdin G.; Wencel-Delord, Joanna; Roberts, Charis A.; Sarpong, Richmond; Wilson, Zoe E.; Brimble, Margaret A.; Johansson, Magnus J. & Ackermann, Lutz
  
• Determination of the dispersion forces in the gas phase structures of ionic liquids using exclusively thermodynamic methods. Physical Chemistry Chemical Physics, 23(12), 7398-7406.
  Zaitsau, Dzmitry H.; Ludwig, Ralf & Verevkin, Sergey P.
  
• Do Docking Sites Persist Upon Fluorination? The Diadamantyl Ether‐Aromatics Challenge for Rotational Spectroscopy and Theory. Chemistry – A European Journal, 27(20), 6198-6203.
  Quesada‐Moreno, María Mar; Pinacho, Pablo; Pérez, Cristóbal; Šekutor, Marina; Schreiner, Peter R. & Schnell, Melanie
  
• Electro-oxidative Intermolecular Allylic C(sp3)H Aminations. J. Org. Chem.
  Y. Wang; Z. Lin; J. C. Oliveira & L. Ackermann
  
• Enantioselective Ruthenium-Catalyzed C–H Alkylations by a Chiral Carboxylic Acid with Attractive Dispersive Interactions. Organic Letters, 23(7), 2760-2765.
  Dhawa, Uttam; Connon, Robert; Oliveira, João C. A.; Steinbock, Ralf & Ackermann, Lutz
  
• Halogens in Acetophenones Direct the Hydrogen Bond Docking Preference of Phenol via Stacking Interactions. Molecules, 26(16), 4883.
  Zimmermann, Charlotte; Lange, Manuel & Suhm, Martin A.
  
• Hydrogen Delocalization in an Asymmetric Biomolecule: The Curious Case of Alpha-Fenchol. Molecules, 27(1), 101.
  Medel, Robert; Springborn, Johann R.; Crittenden, Deborah L. & Suhm, Martin A.
  
• Insights into the Mechanism of Low-Valent Cobalt-Catalyzed C–H Activation. ACS Catalysis, 11(3), 1505-1515.
  Oliveira, João C. A.; Dhawa, Uttam & Ackermann, Lutz
  
• Ionic liquids alkyl-imidazolium thiocyanates: Comprehensive thermochemical study. Journal of Molecular Liquids, 321(c(2021, 1)), 114284.
  Zaitsau, Dzmitry H.; Yermalayeu, Andrei V. & Verevkin, Sergey P.
  
• Late-stage stitching enabled by manganese-catalyzed C─H activation: Peptide ligation and access to cyclopeptides. Science Advances, 7(9).
  Kaplaneris, Nikolaos; Kaltenhӓuser, Felix; Sirvinskaite, Giedre; Fan, Shuang; De Oliveira, Tiago; Conradi, Lena-Christin & Ackermann, Lutz
  
• London Dispersion Interactions Rather than Steric Hindrance Determine the Enantioselectivity of the Corey–Bakshi–Shibata Reduction. Angewandte Chemie International Edition, 60(9), 4823-4832.
  Eschmann, Christian; Song, Lijuan & Schreiner, Peter R.
  
• Noncovalent Intra‐ and Intermolecular Interactions in Peri‐Substituted Pnicta Naphthalene and Acenaphthalene Complexes. European Journal of Inorganic Chemistry, 2022(2).
  Gehlhaar, Alexander; Wölper, Christoph; van der Vight, Felix; Jansen, Georg & Schulz, Stephan
  
• Olefin Epoxidation Catalyzed by Titanium–Salalen Complexes: Synergistic H2O2 Activation by Dinuclear Ti Sites, Ligand H-Bonding, and π-Acidity. ACS Catalysis, 11(6), 3206-3217.
  Engler, Hauke; Lansing, Markus; Gordon, Christopher P.; Neudörfl, Jörg-M.; Schäfer, Mathias; Schlörer, Nils E.; Copéret, Christophe & Berkessel, Albrecht
  
• Predicting OH stretching fundamental wavenumbers of alcohols for conformational assignment: different correction patterns for density functional and wave-function-based methods. Physical Chemistry Chemical Physics, 23(9), 5629-5643.
  Medel, Robert & Suhm, Martin A.
  
• Quantification and understanding of non-covalent interactions in molecular and ionic systems: Dispersion interactions and hydrogen bonding analysed by thermodynamic methods. Journal of Molecular Liquids, 343(c(2021, 12)), 117547.
  Verevkin, Sergey P.; Kondratev, Stanislav O.; Zaitsau, Dzmitry H.; Zherikova, Kseniya V. & Ludwig, Ralf
  
• Remote C–H Functionalizations by Ruthenium Catalysis. Synthesis, 53(17), 2911-2946.
  Ackermann, Lutz; Korvorapun, Korkit; Samanta, Ramesh C. & Rogge, Torben
  
• Reply to a Comment on “The Nature of Chalcogen‐Bonding‐Type Tellurium–Nitrogen Interactions”. Angewandte Chemie International Edition, 60(24), 13150-13157.
  Vishnevskiy, Yury V. & Mitzel, Norbert W.
  
• Rovibronic signatures of molecular aggregation in the gas phase: subtle homochirality trends in the dimer, trimer and tetramer of benzyl alcohol. Physical Chemistry Chemical Physics, 23(41), 23610-23624.
  Medel, Robert; Camiruaga, Ander; Saragi, Rizalina Tama; Pinacho, Pablo; Pérez, Cristóbal; Schnell, Melanie; Lesarri, Alberto; Suhm, Martin A. & Fernández, José A.
  
• Simple models for the quick estimation of ground state hydrogen tunneling splittings in alcohols and other compounds. Physical Chemistry Chemical Physics, 23(32), 17591-17605.
  Medel, Robert
  
• Three in One: The Versatility of Hydrogen Bonding Interaction in Halide Salts with Hydroxy‐Functionalized Pyridinium Cations. ChemPhysChem, 22(18), 1850-1856.
  Al Sheakh, Loai; Niemann, Thomas; Villinger, Alexander; Stange, Peter; Zaitsau, Dzmitry H.; Strate, Anne & Ludwig, Ralf
  
• Triazole-Enabled Ruthenium(II) Carboxylate-Catalyzed C–H Arylation with Electron-Deficient Aryl Halides. Synlett, 33(04), 346-350.
  Rogge, Torben; Müller, Thomas; Broggini, Diego; Ackermann, Lutz; Simon, Hendrik; Hou, Xiaoyan & Wagschal, Simon
  
• Understanding the unique reactivity patterns of nickel/JoSPOphos manifold in the nickel-catalyzed enantioselective C–H cyclization of imidazoles. Chemical Science, 12(2), 718-729.
  Liu, Jian-Biao; Wang, Xin; Messinis, Antonis M.; Liu, Xiao-Jun; Kuniyil, Rositha; Chen, De-Zhan & Ackermann, Lutz
  
• Vapour pressures of methoxy substituted benzaldehydes. Fluid Phase Equilibria, 531(c(2021, 3)), 112912.
  Verevkin, Sergey P. & Emel'yanenko, Vladimir N.
  
• Weaving a web of reliable thermochemistry around lignin building blocks: Vanillin and its isomers. The Journal of Chemical Thermodynamics, 157(c(2021, 6)), 106362.
  Verevkin, Sergey P.; Konnova, Maria E.; Emeĺyanenko, Vladimir N. & Pimerzin, Aleksey A.
  
• Attaching Onto or Inserting Into an Intramolecular Hydrogen Bond: Exploring and Controlling a Chirality-Dependent Dilemma for Alcohols. Symmetry, 14(2), 357.
  Lange, Manuel; Sennert, Elisabeth & Suhm, Martin A.
  
• Bisstibane–distibane conversionviaconsecutive single-electron oxidation and reduction reaction. Chemical Communications, 58(47), 6682-6685.
  Gehlhaar, Alexander; Weinert, Hanns Micha; Wölper, Christoph; Semleit, Nina; Haberhauer, Gebhard & Schulz, Stephan
  
• Comparing London dispersion pnictogen–π interactions in naphthyl-substituted dipnictanes. Dalton Transactions, 51(13), 5016-5023.
  Gehlhaar, Alexander; Schiavo, Eduardo; Wölper, Christoph; Schulte, Yannick; Auer, Alexander A. & Schulz, Stephan
  
• Computational Chemistry as a Conceptual Game Changer: Understanding the Role of London Dispersion in Hexaphenylethane Derivatives (Gomberg Systems). Israel Journal of Chemistry, 62(1-2).
  Rösel, Sören & Schreiner, Peter R.
  
• Diphenyl‐ and Dimesityl‐Phosphanyl‐Substituted 3, 3, 4, 4, 5, 5‐Hexafluorocyclopentenyl‐Gold(I) Dimers – Syntheses and Solid‐State Structures. European Journal of Inorganic Chemistry, 2022(14).
  Müller, Felix; Neumann, Beate; Stammler, Hans‐Georg & Mitzel, Norbert W.
  
• Effects of Dispersion and Charge‐Transfer Interactions on Structures of Heavy Chalcogenide Compounds: A Quantum Chemical Case Study for (Et2Bi)2Te. ChemPlusChem, 87(4).
  van der Vight, Felix; Schulz, Stephan & Jansen, Georg
  
• Gauging the Steric Effects of Silyl Groups with a Molecular Balance. The Journal of Organic Chemistry, 87(7), 4670-4679.
  König, Henrik F.; Rummel, Lars; Hausmann, Heike; Becker, Jonathan; Schümann, Jan M. & Schreiner, Peter R.
  
• London Dispersion Favors Sterically Hindered Diarylthiourea Conformers in Solution. Angewandte Chemie International Edition, 61(29).
  Rummel, Lars; Domanski, Marvin H. J.; Hausmann, Heike; Becker, Jonathan & Schreiner, Peter R.
  
• Monitoring dynamic pre-crystallization aggregation processes in solution by VT-DOSY-NMR spectroscopy. Chemical Communications, 58(21), 3465-3468.
  Mix, Andreas; Lamm, Jan-Hendrik; Schwabedissen, Jan; Gebel, Erich; Stammler, Hans-Georg & Mitzel, Norbert W.
  
• Sniffing out camphor: the fine balance between hydrogen bonding and London dispersion in the chirality recognition with α-fenchol. Physical Chemistry Chemical Physics, 24(21), 12849-12859.
  Quesada-Moreno, María Mar; Fatima, Mariyam; Medel, Robert; Pérez, Cristóbal & Schnell, Melanie
  
• Synthesis, structural and photophysical properties of dimethylphosphino(perfluoro-)phenylene-based gold(i) dimers. Dalton Transactions, 51(5), 1955-1967.
  Müller, Felix; Wickemeyer, Lucas; Schwabedissen, Jan; Ertl, Martin; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe & Mitzel, Norbert W.
  
• Tilting the Balance: London Dispersion Systematically Enhances Enantioselectivities in Brønsted Acid Catalyzed Transfer Hydrogenation of Imines. Journal of the American Chemical Society, 144(43), 19861-19871.
  Gramüller, Johannes; Franta, Maximilian & Gschwind, Ruth M.
  
• Very close I⋯As and I⋯Sb interactions in trimethylpnictogen-pentafluoroiodobenzene cocrystals. CrystEngComm, 24(1), 70-76.
  Bujak, Maciej; Stammler, Hans-Georg; Vishnevskiy, Yury V. & Mitzel, Norbert W.