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Behavior of the local reactivity descriptors during complexation: a case study of BXX'X' 'NH<SUB>3</SUB> (X, X', X" = H, F)

By Akhilesh Tanwar and Sourav Pal

Abstract

The behavior of local reactivity descriptors such as condensed fukui functions, "relative electrophilicity", and "relative nucleophilicity"was studied as the complexation reaction of BH3 or fluoroboranes and NH3 proceeds. This study reveals the change of these descriptors of different atoms during the reaction. The case study indicates the general properties of descriptors in a reactive surface

Topics: QD Chemistry
Publisher: 'American Chemical Society (ACS)'
Year: 2004
DOI identifier: 10.1021/jp045924d
OAI identifier: oai:repository.ias.ac.in:25949
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