【摘 要】
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The characteristics of photo, thermal and doping isomerizations of polyacetylene werediscussed. A new biradical mechanism for photo and thermal isomerizations
【出 处】
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Acta Chimica Sinica(English Edition)
论文部分内容阅读
The characteristics of photo, thermal and doping isomerizations of polyacetylene werediscussed. A new biradical mechanism for photo and thermal isomerizations is proposed, which isconsistent with the ESR results. The CNDO/2 and INDO molecular orbital calculation results showthat the mechanism is energetically the most favorable. The reliability of applying general semi-empirical MO methods in polymers is estimated and showed to be valuable in predicting properties.
The characteristics of photo, thermal and doping isomerizations of polyacetylene werediscussed. A new biradical mechanism for photo and thermal isomerizations is proposed, which isconsistent with the ESR results. The CNDO / 2 and INDO molecular orbital calculation results show that the mechanism is energetically the most favorable . The reliability of applying general semi-empirical MO methods in polymers is estimated and showed to be valuable in predicting properties.
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