INTERACTION OF 2 SOLITONS ON 2 TRANS-POLYACETYLENE CHAINS

被引：0
|
作者：
YOSHIZAWA, K
TANAKA, K
YAMABE, T
机构：
[1] KYOTO UNIV,FAC ENGN,DEPT HYDROCARBON CHEM,SAKYO KU,KYOTO 606,JAPAN
[2] KYOTO UNIV,FAC ENGN,DIV MOLEC ENGN,SAKYO KU,KYOTO 606,JAPAN
[3] INST FUNDAMENTAL CHEM,SAKYO KU,KYOTO 606,JAPAN
来源：
SYNTHETIC METALS | 1990年 / 36卷 / 01期
关键词：
D O I：
10.1016/0379-6779(90)90236-E
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We have studied the interaction of two solitons on two trans-polyacetylene chains in the framework of the molecular orbital theory employing the spin-restricted Hartree-Fock (RHF) and the unrestricted Hartree-Fock (UHF) methodologies for π-electrons. We discuss the energetical stability for the cases of a singlet pair of neutral solitons and a pair of oppositely charged solitons, each soliton existing and interacting on the two chains. We have found the former to be energetically more stable and that a transition from the former to the latter would take place upon photoexcitation. The decrease in the intensity of the electron spin resonance signal upon photoexcitation can be explained by this transition. © 1990.
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页码：75 / 81
页数：7
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