GRK 2620:  Ion Pair Effects in Molecular Reactivity

• Subject Area: Molecular Chemistry
• Term: since 2021
• Website: Homepage
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 426795949

Ion pairs are omnipresent in chemistry, since each heterolytic reaction or one electron trans-fer reaction generates an ion pair. In addition, the electrostatic attraction between counter-ions provides the strongest interaction energies of all intermolecular forces, which is suc-cessfully exploited throughout the chemical disciplines. Thus, many famous organometallic reagents and whole classes of inorganic clusters are ion pairs. Futhermore, iminium and ion pair catalysis emerged as hot topics. However, predicting ground state structures, inter-mediates and transition states of small ion pairs especially in solution remains a challenge. Ion pairs often form aggregates. The very low distance dependence of their strong interac-tion energy causes various structures similar in energy and pronounced conformational flexibilities. Furthermore, they are highly sensitive to solvent or substrate interactions. As a result, experimental access to ion pair structures in solution is missing or highly demanding and theoretical calculations often fail to predict these correctly. One goal of this RTG is to elucidate the structures and reaction mechanisms of ion pairs. Mechanistic junctions on the transition state level will be addressed for parallel and multi-modal reaction pathways based on experiments and supported by calculations. We transfer refined ion pair concepts to different chemical disciplines, aiming at the development of new and improved reactions, especially in catalysis. The chemical disciplines represented in this RTG provide complementary perspectives, methods and concepts to investigate ion pairs. However, the fundamental physical interac-tions involving Coulomb forces, dipole moments, or polarization are principally the same. Therefore, in this RTG closed and organic open-shell ion pairs from various chemical fields will be investigated by an interdisciplinary team of spectroscopists, theoreticians and syn-thetic chemists from organic, inorganic, theoretical, and physical chemistry to achieve a maximum transfer of concepts. Qualification activities on the individual student level, project team level and RTG level ensure highly demanding scientific projects, a broad and interdis-ciplinary training of PhD students and short PhD qualification times. Overall, the vision of this RTG is to provide transferable concepts of ion pairs for the pre-diction and control of structures, reactivities and enantioselectivities and an excellent inter-disciplinary graduate student education.

• DFG Programme: Research Training Groups
• Applicant Institution: Universität Regensburg
• Participating Institution: Ludwig-Maximilians-Universität München
• Spokesperson: Professorin Dr. Ruth M. Gschwind
• Participating Researchers: Privatdozent Dr. Jonathan O. Bauer; Professor Dr. Dominik Horinek; Professor Dr. Nikolaus Korber; Professor Dr. Burkhard König; Professor Dr. Patrick Nürnberger; Professorin Dr. Julia Rehbein; Professor Dr. Oliver Reiser; Professor Dr. Robert Wolf; Professor Dr. Hendrik Zipse