Based on a lecture delivered at the Conference “A 76: Exploring the Chemical Bond—New Developments” held by the Chemical Physics Section of the Atomic Physics Division, European Physical Society, in Amsterdam (August 30—September 1, 1976).
The Pauli Principle and Chemical Bonding in Molecules and Solids†
Article first published online: 22 DEC 2003
Copyright © 1977 by Verlag Chemie, GmbH, Germany
Angewandte Chemie International Edition in English
Volume 16, Issue 5, pages 294–299, May 1977
How to Cite
Jansen, L. and Block, R. (1977), The Pauli Principle and Chemical Bonding in Molecules and Solids. Angew. Chem. Int. Ed. Engl., 16: 294–299. doi: 10.1002/anie.197702941
- Issue published online: 22 DEC 2003
- Article first published online: 22 DEC 2003
- Manuscript Revised: 27 DEC 1976
- Manuscript Received: 23 AUG 1976
- Pauli principle;
- Bond theory
The starting point of this contribution is a discussion of the concept of exchange interactions and its relation to chemical bonding and valence. Then, a class of phenomena characterized by weak chemical bonding (≲1eV) in solids and molecules is analyzed in more detail, with “superexchange” in insulating solids with paramagnetic 3d-cations serving as prototype. A model of “effective electrons” is developed for weak bonding on the basis of exchange perturbation theory, taking full account of the Pauli principle. The model is applied to: (i) magnetic interactions in solids (interaction energy 10−2 to 10−4 eV); (ii) stability of noble-gas halides (binding energy ≈ 1eV); and (iii) rotational barriers in simple molecules (barrier heights of several 0.1 eV).