ISSN:
1432-2234
Keywords:
Population analysis
;
Bond energies
;
Hypervalency
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The population analysis based on occupation numbers, originally proposed by Davidson, is briefly reviewed. A new way is proposed to determine modified AOs and to characterize hypervalent contributions. This is discussed in application to the molecules NSF, NSF3, SF6, OPCl, OPCl2, O2PCl, SO2, ClO 4 − . It is the main objective of this work to investigate the connection between shared electron numbers σ — considered as a measure of covalent bond strength — and bond energies, σ is found to be a reliable measure of bond energies.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00526774
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