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HSAB principle: Applications of its global and local forms in organic chemistry
Author(s) -
Geerlings P.,
De Proft F.
Publication year - 2000
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/1097-461x(2000)80:2<227::aid-qua17>3.0.co;2-n
Subject(s) - hsab theory , chemistry , regioselectivity , computational chemistry , alkylation , organic chemistry , catalysis
The hard and soft acids and bases (HSAB) principle, both in its local and global versions, is applied, to a series of chemical reactions, including eleminations and substitutions, Diels–Alder cycloadditions, enolate–ion alkylation, and 1,3‐dipolar additions. It will be shown that this principle, in the different resolutions, provides a powerful tool in the study of regioselectivity problems in organic chemistry. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 80: 227–235, 2000