Ion pairs are omnipresent in chemistry, since each heterolytic reaction or one electron transfer reaction generates an ion pair. In addition, the electrostatic attraction between counterions provides the strongest interaction energies of all intermolecular forces, which is successfully exploited throughout the chemical disciplines. Thus, many famous organo-metallic reagents and whole classes of inorganic clusters are ion pairs. Futhermore, imini-um and ion pair catalysis emerged as hot topics. However, predicting ground state struc-tures, intermediates 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 interaction energy causes various structures similar in energy and pronounced con-formational flexibilities. Furthermore, they are highly sensitive to solvent or substrate inter-actions. 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 trans-fer 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, pro-ject team level and RTG level ensure highly demanding scientific projects, a broad and in-terdisciplinary 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.
