Tanwar, Akhilesh ; Pal, Sourav (2004) Behavior of the local reactivity descriptors during complexation: a case study of BXX'X' 'NH3 (X, X', X" = H, F) Journal of Physical Chemistry A, 108 (52). pp. 11838-11845. ISSN 1089-5639
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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp045924d
Related URL: http://dx.doi.org/10.1021/jp045924d
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.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 25949 |
| Deposited On: | 04 Dec 2010 10:53 |
| Last Modified: | 05 Mar 2011 05:18 |
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