Acyclic systems with extremal Hückel π-electron energy |
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Authors: | Ivan Gutman |
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Affiliation: | (1) Institute Rudjer Bokovi, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia |
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Abstract: | The main result of the present work is the proof that among acyclic polyenes CnHn+2, the linear isomer H2C=(CH)n–2=CH2 has maximal HMO -electron energy. The 1,1-divinyl isomer (H2C=CH)2C(CH)n–6=CH2 has maximal -energy among branched acyclic systems. Among trees withn vertices, the star has minimal energy. A number of additional inequalities for HMO total -electron energy of acyclic conjugated systems are proved. |
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Keywords: | Acyclic polyenes Graph theory |
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