Pal, Sourav ; Roy, Ramkinkar ; Chandra, A. K. (1994) Change of hardness and chemical potential in chemical binding: a quantitative model Journal of Physical Chemistry, 98 (9). pp. 2314-2317. ISSN 0022-3654
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Official URL: http://pubs.acs.org/doi/abs/10.1021/j100060a018
Related URL: http://dx.doi.org/10.1021/j100060a018
Abstract
In this paper we relate the change of chemical hardness and potential with the binding energies as the chemical binding takes place. We use a simple model to demonstrate that the hardness change is not only related to the binding energy of the molecule being formed, but also to the binding energies of the corresponding molecular cations and anions. Similar expressions are also derived for chemical potential. We have shown that our analysis can explain the existing data. The separated limit values of hardness and chemical potential are also derived. Two demonstrative calculations on the molecules H2 and HF are presented. The future potential of this model is discussed.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 25974 |
| Deposited On: | 04 Dec 2010 10:46 |
| Last Modified: | 05 Mar 2011 06:18 |
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