APPROXIMATING THE TOTAL PI-ELECTRON ENERGY OF BENZENOID HYDROCARBONS - SOME NEW ESTIMATES OF (N,M)-TYPE

Date

1993-10-01

Author

GUTMAN, I
Türker, Burhan Lemi

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Three novel lower bounds for the total pi-electron energy of benzenoid hydrocarbons have been obtained. These bounds are of (n,m)-type, i.e., they are functions of only the number of carbon atoms (n) and the number of carbon-carbon bonds (m). Two of them are much better than the previously reported estimates of the same kind. The results obtained shed light on the dependence of the thermodynamic stability of benzenoid hydrocarbons on molecular structure. The extension of the results obtained to non-benzenoid alternant hydrocarbons is straightforward, but requires some caution.

Subject Keywords

Topological properties, Systems

URI

https://hdl.handle.net/11511/62483

Journal

INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY

Collections

Department of Chemistry, Article

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Citation Formats

I. GUTMAN and B. L. Türker, “APPROXIMATING THE TOTAL PI-ELECTRON ENERGY OF BENZENOID HYDROCARBONS - SOME NEW ESTIMATES OF (N,M)-TYPE,” INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, pp. 833–836, 1993, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62483.