Roy, Ramkinkar ; Chandra, A. K. ; Pal, Sourav (1994) Correlation of polarizability, hardness, and electronegativity: polyatomic molecules Journal of Physical Chemistry, 98 (41). pp. 10447-10450. ISSN 0022-3654
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Official URL: http://pubs.acs.org/doi/abs/10.1021/j100092a011
Related URL: http://dx.doi.org/10.1021/j100092a011
Abstract
In this paper, for the first time we have correlated the hardness (η), softness (s), and polarizability (P) with the electronegativity and the distortion (ΔR) of a single bond in a complex polyatomic system. The study also shows some interesting: trends as different types of bonds are distorted. We have suggested a new concept, "local bond hardness", in a complex polyatomic system. The molecules H2O, CH4, CH3Cl, and CH3F are chosen as primary test cases.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 25975 |
| Deposited On: | 04 Dec 2010 10:46 |
| Last Modified: | 05 Mar 2011 06:16 |
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