SIMILARITY APPROACH TO CHEMICAL-REACTIVITY - THEORETICAL JUSTIFICATION OF THE HAMMOND POSTULATE

Citation
R. Ponec et al., SIMILARITY APPROACH TO CHEMICAL-REACTIVITY - THEORETICAL JUSTIFICATION OF THE HAMMOND POSTULATE, Journal of mathematical chemistry, 19(3-4), 1996, pp. 265-270
Citations number
45
Categorie Soggetti
Chemistry,Mathematics
ISSN journal
02599791
Volume
19
Issue
3-4
Year of publication
1996
Pages
265 - 270
Database
ISI
SICI code
0259-9791(1996)19:3-4<265:SATC-T>2.0.ZU;2-U
Abstract
The recently proposed similarity index was applied to the quantitative justification of the empirical Hammond postulate for a series of sele cted pericyclic reactions. In keeping with the expectations of the pos tulate the transition states were shown to be reactant-like for exothe rmic and product-like for endothermic reactions.