ADJACENT DIM ISOELECTRONIC MOLECULES AND CHEMICAL SIMILARITY AMONG TRIATOMICS

Citation
R. Cavanaugh et al., ADJACENT DIM ISOELECTRONIC MOLECULES AND CHEMICAL SIMILARITY AMONG TRIATOMICS, Journal of molecular structure, 382(2), 1996, pp. 137-145
Citations number
24
Categorie Soggetti
Chemistry Physical
ISSN journal
00222860
Volume
382
Issue
2
Year of publication
1996
Pages
137 - 145
Database
ISI
SICI code
0022-2860(1996)382:2<137:ADIMAC>2.0.ZU;2-E
Abstract
Isoelectronic molecules and isovalent molecules commonly have chemical similarity. This paper adds a third distribution of molecules and dem onstrates that it exhibits chemical similarity in the case of linear/b ent triatomics: the similarities of same-period triatomics which have equal C-1 + 2C(2) + C-3 = g(C), where C-i is the number of valence ele ctrons of atom i and where i = 2 is the middle atom. It is shown, by g raphical and statistical analyses of critically analyzed data for seve ral observables of main-group molecules, that molecules with constant g(C) are at least as similar as isoelectronic molecules and are vastly more similar than are molecules chosen at random. It is suggested tha t since g(C) can be written additively as (C-1 + C-2) + (C-2 + C-3), a theoretical basis for the new tool might be constructed using a ''dia tomics-in-molecules'' (DIM) or similar theory in which the 1-3 bond is ignored. The generalization to molecules with more than three atoms i s presented.