Fully-angular polyhex chains with minimal total π-electron energy |
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| Authors: | Haizhen Ren Fuji Zhang |
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| Institution: | a Department of Mathematics, Qinghai Normal University, Xining, Qinghai 810008, PR China
b Mathematics and Science College of Xiamen University, Xiamen, Fujian 361005, PR China |
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| Abstract: | By Hückel molecular orbital (HMO) theory, the calculation of the total energy of all π-electrons in conjugated hydrocarbons can be reduced to that of E(G)=|λ1|+|λ2|+?+|λn|, where λi are the eigenvalues of the corresponding graph G. Denote by Ψn the set of all fully-angular polyhex chains with n hexagons. In this paper, we show that Hn has the minimum total π-electron energy among chains in Ψn, where Hn is the helicene chain. |
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| Keywords: | Fully-angular polyhex chain Helicene chain Energy of graph |
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