A quantum chemical study of interchain hopping model of negatively charged solitons in polyacetylene
作者： Akitomo Tachibana , Shigeru Ishikawa , Yoshihiro Asai , Hideki Katagiri , Tokio Yamabe
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摘要: Phonon-assisted interchain hopping of negatively charged solitons in polyacetylene has been studied using a local chemical reaction model CH + CH4 CH. Quantum characteristics the electron transfer process have analyzed terms dynamic density and mutual polarization moment. The stretching vibrational motion CH4, which is sp3 defect, found to play significant role for transfer. excitation corresponding mode defect would promote soliton. also “regional” functional theory. It shown that driving force represented by regional potentials.
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