SFB 1249:  N-Heteropolycycles as Functional Materials

• Subject Area: Chemistry ; Computer Science, Systems and Electrical Engineering ; Physics
• Term: since 2017
• Website: Homepage
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 281029004

The aim of this research consortium is the development of novel organic functional materials with specifically tunable electronic properties and their application as photoactive components and organic semiconductors. The concept is based on the N <-> CH isosteric relationship (as well as the corresponding NH <-> [CH]- substitution) in combination with the number and ring size of condensed hetero-polycycles in order to specifically tailor their electronic and optical properties while leaving their molecular shapes unchanged. The prerequisite for a rational approach to these new materials is a detailed insight into the underlying elementary processes, including those of molecular aggregation (and its control through weak intermolecular interactions), their structures at interfaces as well as electronic excitation and charge transport. The research plan comprises the whole spectrum, starting out from synthetic method development, structural and spectroscopic characterization and theoretical modelling of molecules, small aggregates and solid films. Of particular interest is the way in which molecular properties are related to the optoelectronic properties of materials and devices. In the next funding period we will extend the investigations to the non-linear optical properties of open-shell N-heterocycles and their magneto-optical and charge transport behavior. In addition, there will be a new focus on chiro-optical and transport properties of chiral N-heterocyclic molecules.

• DFG Programme: Collaborative Research Centres

Current projects

• A01 - Synthesis of Novel N-Heteroacenes and N-Heteroarenes (Project Head Bunz, Uwe F. H. )
• A02 - Azaperylene- and Azacoronene-Derivatives as Functional Organic Materials (Project Head Gade, Lutz H. )
• A03 - Easy and Efficient synthesis of Electron-Deficient N-Heterocyclic Systems and of Azulene-Based N-Heteropolycycles from Existing Building Blocks (Project Head Hashmi, A. Stephen K. )
• A04 - Nonplanar Heterocyclic Electron Acceptor Molecules for Organic Electronics (Project Head Mastalerz, Michael )
• A05 - Electron Donors of Different Dimensionality Derived from Bridged Triphenylamines (Project Head Kivala, Milan )
• B01 - Theoretical Description and Computational Prediction of Molecular Properties of N-Heteropolycycles (Project Head Dreuw, Andreas )
• B02 - Bottom-up modelling of energy and charge transfer properties of N-heteropolycycles using multi-scale methods (Project Head Elstner, Marcus )
• B03 - Spectroscopic Investigation of N-Heteropolycyclic Molecules by Matrix Isolation (Project Head Himmel, Hans-Jörg )
• B04 - Investigation of the Ultrafast Dynamics of Heteropolycycles with Multidimensional Femtosecond Spectroscopy (Project Head Buckup, Tiago )
• B06 - Interfaces with N-Heteropolycycles: Morphologies, Electronic Properties and Excited States Dynamics (Project Head Tegeder, Petra )
• B08 - Dynamical pathways of N-Heteropolycycles in the Strong Light-Matter Coupling Regime (Project Head Vendrell, Oriol )
• B09 - Ultrafast Chiral Structure-Property Relations in the Electronic State Dynamics of N-Heteropolycycles (Project Head Deschler, Felix )
• B10 - The Role of Disorder on Coherent Excited State Transport in N-Heteropolycycles (Project Head Gessner, Julia )
• C01 - Fabrication, Characterization and Integration of Organic Thin-Film Transistors (Project Head Klauk, Hagen )
• C06 - Charge transport in and chiro-optical properties of zone-cast films of chiral N-heteropolycycles (Project Head Zaumseil, Jana )
• C09 - Strong light-matter coupling with N-heteropolycycles for tunable organic photodetectors and phototransistors (Project Head Zaumseil, Jana )
• C11 - 3D Printing Functional Structures based on N-Heteropolycyclic Derivatives (Project Head Blasco, Ph.D., Eva )
• C12 - Structure-Function Analysis Using Advanced Electron Microscopy Methods (Project Head Eggeler, Yolita M. )
• C13 - Mapping the Chemical Space of Nitrogen-Heteropolycycles (Project Head Friederich, Pascal )
• C14 - Atomistic investigations of the molecular assembly of N-heteropolycycles (Project Head Amirjalayer, Saeed )
• Z - Central Tasks (Project Heads Gade, Lutz H. ;  Tegeder, Petra )

Completed projects

• B05 - Visualization of Structure - Function Relationships by Electron Microscopy (EM) (Project Head Schröder, Rasmus R. )
• B07 - Theoretical Modeling of Small Clusters of N-heteropolycycles (Project Head Höfener, Sebastian )
• C02 - N-Heteropolyzyklen on Graphene Substrates (Project Head Backes, Claudia )
• C03 - Characterization of Molecular Interaction in the Condensed Phase and at Interfaces by IR-Spectroscopy (Project Head Pucci, Annemarie )
• C04 - Investigating the optoelectronic properties of N-heterocyclic compounds and their application in photovoltaic diodes (Project Head Vaynzof, Yana )
• C05 - Charge-carrier Mobility in Self-assembled Monolayers (Project Heads Bunz, Uwe F. H. ;  Wöll, Christof )
• C07 - Bipolar Materials Based on N-heterocycles for Novel Memory Applications (Project Head Kemerink, Martijn )
• C08 - Control of the Aggregation Behaviour of N-Heteropolycycles (Project Head Backes, Claudia )
• C10 - Theoretical Investigation of Stability and Reactivity of Open-Shell N-Heteropolycycles (Project Head Gryn`ova, Ganna )

• Applicant Institution: Ruprecht-Karls-Universität Heidelberg
• Participating University: Karlsruher Institut für Technologie
• Participating Institution: Max-Planck-Institut für Festkörperforschung (MPI-FKF)
• Spokespersons: Professor Dr. Lutz H. Gade, until 12/2024; Professorin Dr. Petra Tegeder, since 1/2025