ISSN:
0040-5744
Keywords:
Key words: Group valence
;
Functional groups
;
Multicenter bonding
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract. The quantum chemical definition of valence as a property of an atom in a molecule was generalized to functional groups in molecules. The new definition was applied to a series of functional groups in simple organic molecules. The results were found to be in agreement with expectation on the basis of classical valence rules. CH2, N2 and CO group valences in selected organic molecules are compared. Group valences for systems violating the classical valence rules are also briefly discussed with an emphasis on the role of multicenter bonding in the phenomenon of hyper- and subvalence. Finally, Si2 groups serve to probe the bulk character of small and medium silicon clusters.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01113350
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