Gutman, I. ; Radhakrishnan, T. P. (1996) On the origin of high Hückel molecular orbital degeneracy Journal of the Serbian Chemical Society, 61 (10). pp. 881-886. ISSN 0352-5139
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Official URL: http://www.doiserbia.nb.rs/journal.aspx?issn=0352-...
Abstract
The previously observed high ("unusual") degeneracy of Hückel MOs in certain conjugated -electron systems is rationalised by means of graph spectral theory. Rules are given, enabling the prediction of the degeneracy of MOs in the majority of cases of chemical interest. These generalise previously noticed regularities. It is shown that the high degeneracy of the MOs is not caused by summetry, but rather by certain peculiarities of the connectedness of the respective molecules.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to KoBSON. |
| Keywords: | Molecular Orbitals; Hückel MOs; Orbital Degeneracy |
| ID Code: | 78446 |
| Deposited On: | 19 Jan 2012 12:14 |
| Last Modified: | 19 Jan 2012 12:14 |
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