Chandrakumar, K. R. S. ; Pal, Sourav (2002) A systematic study on the reactivity of Lewis acid-base complexes through the local hard-soft acid-base principle Journal of Physical Chemistry A, 106 (48). pp. 11775-11781. ISSN 1089-5639
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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp026062o
Related URL: http://dx.doi.org/10.1021/jp026062o
Abstract
The present paper addresses the stability of Lewis acid-base complexes using the recently developed local hard-soft acid-base (HSAB) principle. The principal role of electronegativity equalization and the charge redistribution process in stabilizing the complexes is demonstrated. The soft-soft and hard-hard types of interactions are well distinguished by the electron transfer parameter. The effect of correlation on the reactivity descriptors and subsequently on the soft-soft as well as hard-hard interactions has been studied. The validity of the present model in calculating the interaction energy of these complexes with varying degrees of strength is demonstrated.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 25956 |
| Deposited On: | 04 Dec 2010 10:50 |
| Last Modified: | 05 Mar 2011 05:25 |
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