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KMID : 1059519870310020143
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Journal of the Korean Chemical Society
1987 Volume.31 No. 2 p.143 ~ p.152
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The Theoretical Studies for the π-Binding Energy of Hydrocarbons Using the Molecular Connectivity (Ⅰ)
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Kim Ui-Rak
Eun Jong-Guk
Lee Myung-Jae
Kim Sang-Hae
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Abstract
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π-Binding energy of the 153 kinds of unsaturated acyclic polyenes and unsaturated cyclic polyenes has been calculated by the Kier's Molecular Connectivity Index. An excellent linear correlation is found between HMO π-binding energy and π-binding energy calculated by the Kier's Molecular Connectivity Index. In either class of unsaturated acyclic hydrocarbons and unsaturated cyclic hydrocarbon, the regression analysis reveals a highly significant linear correlation between Eπ and 1χν(the first order valence connectivity index).
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KEYWORD
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