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The Pauli Principle and Chemical Bonding in Molecules and Solids
Author(s) -
Jansen Laurens,
Block Ruud
Publication year - 1977
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.197702941
Subject(s) - pauli exclusion principle , molecule , chemical bond , chemistry , molecular solid , chemical physics , paramagnetism , superexchange , binding energy , valence (chemistry) , electron , computational chemistry , condensed matter physics , atomic physics , physics , quantum mechanics , ion , organic chemistry
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).