Title: Approach to regiochemistry using local softness in 1,3-dipolar cycloadditions
Authors: Chandra, AK ×
Nguyen, Minh Tho #
Issue Date: 1998
Series Title: Journal of computational chemistry vol:19 issue:2 pages:195-202
Conference: date:Univ Louvain, Dept Chem, B-3001 Louvain, Belgium
Abstract: The principle of hard and soft acids and bases is applied in the local. sense to rationalize the regiochemistry in the cycloaddition reactions of a few typical 1,3-dipoles, in particular those with phosphorus-containing dipolarophiles. Local softnesses are calculated using density functional theory. It is observed that the regioselectivity can be explained using these new reactivity descriptors based solely on the properties of the reactants. (C) 1998 John Wiley & Sons, Inc.
ISSN: 0192-8651
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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