SPP 1807:
Control of London Dispersion Interactions in Molecular Chemistry
Subject Area
Chemistry
Physics
Term
from 2015 to 2023
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 255533046
This proposal aims at a thorough understanding and quantification of London dispersion interactions in molecular systems. Dispersion is the driving force for molecular aggregation that plays a key role in the thermodynamic stability, molecular recognition, chemical selectivity through transition-state stabilization, protein folding, enzyme catalysis etc.. While dispersion interactions help rationalize many common phenonema such as well-established π-π interactions, the related -π systems have been examined much less and the concept of -attraction is in its infancy. A primary goal of this program is the development of chemical design principles that utilizes dispersion interactions in the construction of novel molecular structures and chemical reactions. This can only be achieved through a tight interplay between synthesis, spectroscopy, and theory to quantitatively determine dispersion interactions in chemical (model) systems. The chances of success in the quantification and making rational use of dispersion are excellent because only now the experimental and theoretical capabilities have reached a stage that allow a clear-cut analysis of dispersion interactions. There are many challenges to understand and to utilize dispersion forces for the preparation of novel molecular structures, to elucidate the transition from molecular to bulk properties, and catalysis through fine tuning of dispersion-energy donors for optimizing the interactions of ligands and substrates in transition states. The following subtopics will be emphasized (but are not exclusive): Structural studies and quantification of dispersion interactions - Quantification of dispersion-energy donors through systematic studies - Design and preparation of novel intra- or intermolecularly dispersion-stabilized structures - Dispersion interactions in photoexcited states Dispersion effects on reactivity and in catalysis - Transition-state stabilization through dispersion-energy donors - Solvent-induced modulation of dispersion interactions Theory and spectroscopy as tools for the elucidation of dispersion interactions - Experimental and theoretical method development to address dispersion interactions - Molecular spectroscopy to quantify dispersion effects and validate theoretical results
DFG Programme
Priority Programmes
International Connection
Austria, Switzerland, USA
Projects
-
Combined Quantum Chemical and Experimental Study on Metal-Metal Interactions in Heavy Group15 and Group16 Compounds
(Applicants
Jansen, Georg
;
Schulz, Stephan
)
-
Competition between hydrogen bonding and dispersion forces in ionic and molecular liquids by means of spectroscopic and thermodynamic methods
(Applicants
Ludwig, Ralf
;
Verevkin, Sergey
)
-
Computational determination of accurate bond energies of dispersion-dominated systems in the gas phase
(Applicant
Klopper, Willem M.
)
-
Configurations of van der Waals complexes controlled via London dispersion forces as revealed by means of Stark spectroscopy in He-nanodroplets
(Applicants
Friedrich, Bretislav
;
Slenczka, Alkwin
)
-
Control of London Dispersion Interactions in Metal-Catalyzed C-H Activation
(Applicant
Ackermann, Lutz
)
-
Coordination Funds
(Applicant
Schreiner, Peter R.
)
-
Dispersion-Directed Lewis Base Catalysis
(Applicant
Zipse, Hendrik
)
-
Dispersion driven isomerism in sigma-bonded acene dimers
(Applicant
Bettinger, Holger
)
-
Dispersion Effects on Reactivity and Chemo-, Regio- and Stereoselectivity in Organocatalysed Domino Reactions: A Joint Experimental and Theoretical Study
(Applicants
Görling, Andreas
;
Tsogoeva, Svetlana
)
-
Dispersion Interaction in Metal- and Organocatalysis - Assessment and Implementation in Salalen Ligands and N-Heterocyclic Carbenes
(Applicant
Berkessel, Albrecht
)
-
Dispersion interactions in fluorinated biopolymers
(Applicant
Vila Verde, Ana
)
-
Dispersion interactions in isolated molecules and molecular aggregates analyzed by IR/UV and Raman/UV double resonance spectroscopy
(Applicant
Riehn, Christoph
)
-
Experimental and Computational Insights into Dispersion Interactions in Self-Assembled Supramolecular Host-Guest Systems
(Applicants
Clever, Guido
;
Mata, Ricardo
)
-
Experimental dissection of dispersion energies from electrostatic contributions and solvent effects in face-to-face pi-stacking complexes
(Applicant
Biedermann, Frank
)
-
Heavy main group elements as dispersion energy donors - experimental and theoretical studies of bismuth compounds with bismuth-pi-interactions as structure determining component
(Applicants
Auer, Alexander A.
;
Mehring, Michael
)
-
Intra- and intermolecular dispersion forces: Understanding complex formation, aggregation, and the effect of solvation using a bottom-up approach
(Applicant
Schnell, Melanie
)
-
Intra- versus intermolecular forces: the influence of solute-solvent interactions on the structure and properties of extended molecules
(Applicant
Imhof, Petra
)
-
Intramolecular dispersive interactions in the gas phase: experimental reference data and comparison with solid state and theory
(Applicants
Berger, Raphael Johann Friedrich
;
Mitzel, Norbert W.
)
-
Investigation and modelling of dispersion interactions in electronically excited states and the effects of dispersion interactions on electronic excitations
(Applicant
Hättig, Christof
)
-
Investigation of London Dispersion Interactions with Azobenzene Switches
(Applicant
Wegner, Hermann A.
)
-
Large Dispersion Effects in Organic and Organometallic Thermochemistry, Stereochemistry, and Reaction Mechanisms
(Applicant
Chen, Peter
)
-
London Dispersion as a design element to control molecular structures and chemical reactivity
(Applicant
Schreiner, Peter R.
)
-
London Dispersion in Brønsted Acid Catalysis
(Applicant
Gschwind, Ruth M.
)
-
London Dispersion Interactions inside Macrocycles
(Applicant
Nau, Werner
)
-
London vs. Keesom and Debye forces: From FTIR cluster spectroscopy of ambivalent alcohol complexes towards intermolecular energy balances
(Applicant
Suhm, Martin
)
-
Modeling of London Dispersion Interactions in Molecular Chemistry
(Applicant
Grimme, Stefan
)
-
Quantifying London dispersion effects through novel local correlation techniques
(Applicants
Bistoni, Giovanni
;
Neese, Frank
)
-
Stabilization of encounter complexes of intermolecular frustrated Lewis pairs by dispersion energy donors
(Applicant
Paradies, Jan
)
-
Stabilization through dispersion interactions? Synthesis and characterization of coordinatively unsaturated metal complexes containing weakly coordinating anionic N-heterocyclic carbene ligands (WCA-NHC) showing metal N-arene interactions
(Applicant
Tamm, Matthias
)
-
Understanding the Role of Dispersion Interactions in the Mechanical Properties of Molecular Crystals
(Applicant
Tkatchenko, Alexandre
)