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Chemical Bonds and Affinities throughout the Periodic Table

In this project, we examine the most fundamental questions about chemical bonding: What, for example, is the actual physical mechanism behind the stabilization that occurs when a bond is formed? Why do C–H bonds really become longer when the carbon atom goes from sp to sp2 to sp3 in an archetypal series such as acetylene, ethylene and ethane? And we also explore the origin of trends in the length and strength of a bond A–B as the atoms A and B vary, across the periodic system. In many cases, these fundamental questions lead to collaborations on very concrete problems of experimental colleagues, across the world.

The Nature of Nonclassical Carbonyl Ligands Explained by Kohn-Sham Molecular Orbital Theory

S. C. C. van der Lubbe, P. Vermeeren, C. Fonseca Guerra, F. M. Bickelhaupt

Chem. Eur. J. 2020, 26, 15690-15699 (issue #1000)

Nature and Strength of Lewis Acid/Base Interaction in Boron and Nitrogen Trihalides

D. Rodrigues Silva, L. de Azevedo Santos, M. Puggina de Freitas, C. Fonseca Guerra, T. A. Hamlin

Chem. Asian. J.2020,15, 4043-4054

The Role of s–p Orbital Mixing in the Bonding of Second-Period Diatomic Molecules

F. M. Bickelhaupt, J. K. Nagle, W. L. Klemm

J. Phys. Chem. A 2008, 112, 2437-2446

α-Stabilization of Carbanions: Fluorine Stabilizes more Effectively than the Heavier Halogens

F. M. Bickelhaupt, H. L. Hermann, G. Boche

Angew. Chem. Int. Ed. 2006, 45, 823-826


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