The Electron Delocalizability of Polyacetylene in Eingen State and High-Level Doping State

Chem. J. Chinese Universities ›› 1994, Vol. 15 ›› Issue (7): 1047.

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The Electron Delocalizability of Polyacetylene in Eingen State and High-Level Doping State

HUANG Zong-HaO, WANG Rong-Shun, SU Zhong-Min

Department of Chemistry, Northeast Hormal University, Changchun, 130024

Received:1993-07-16 Revised:1993-12-07 Online:1994-07-24 Published:1994-07-24

Abstract

Abstract: The quantum chemical method intruduced within external electric field pertubation approach is used to calculate the electron polarizability of polyacetylene(PA) having Aand Btypes carbon-chain structures. The Atype carbon-chain has alternant carbon-carbon single and double bonds, and the Btype has the uniform carbon-carbon bond lenth.The result shows that the electron polarizability of Btype PAis obviously larger than that of Atype, i.e.the electron delocalizability of B-type PAis obviously larger than that of A-type.The further discussing shows that the reason inducing above result is that the attractive potential of nucleus to electron in B-type carbon chain is smaller than that in A-type.Our conclusion is much useful to explaining why the eigen state of PAhaving Atype structure is a semiconductor and the high-level doping state of PAhaving the B-type structure is a conductor.

Key words: Polyacetylene, Hish-level doping, Electron delocalizability

TrendMD:

HUANG Zong-HaO, WANG Rong-Shun, SU Zhong-Min. The Electron Delocalizability of Polyacetylene in Eingen State and High-Level Doping State[J]. Chem. J. Chinese Universities, 1994, 15(7): 1047.

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The Electron Delocalizability of Polyacetylene in Eingen State and High-Level Doping State

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