Chemical Bonding - Everything a Chemist Wants to Know!?
- Joachim Bretternitz
- Talk
- May 2, 2025
Joachim Bretternitz*
FH Münster University of Applied Sciences, Germany
e-mail: joachim.breternitz@fh-muenster.de
The different concepts of chemical bonding are not only relevant for molecular chemistry, but also for us materials chemists dealing with extended solids. I will highlight on an intriguing case, BeGeN2,[1] where computational bonding analysis delivered the answer as to why this compound has a unique crystal structure type and why regarding all bonds as simply ionic is chiefly too simple for many multinary compounds. While these analyses are currently based on DFT calculations and partitioning of computational charge density, I hope to trigger a debate, if quantum crystallography could play a pivotal role in the better understanding of bonding in (functional) materials.