Behavior of the local reactivity descriptors during complexation: a case study of BXX'X' 'NH<SUB>3</SUB> (X, X', X" = H, F)
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
Publisher: 'American Chemical Society (ACS)'
DOI identifier: 10.1021/jp045924d
Sorry, we are unable to provide the full text but you may find it at the