四氰基乙烯
- 网络tetracyanoethylene;TCNE;TCEN
四氰基乙烯
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用从头算方法,在HF/6-31++G和CASSCF(8,8)/6-31G基组水平上对四氰基乙烯与四甲基乙烯间电子转移的溶剂效应及电荷分离激发态进行了理论计算与研究。
Theoretical calculation has been performed for the solvent effect and charge-separated excited state between tetracyanoethylene ( TCEN ) and tetramethylethylene ( TME ) by use of the ab initio method at the level of HF / 6-31 + + G and CASSCF ( 8,8 ) / 6-31G .
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热开环聚合制备高分子量二茂铁基聚二甲基硅烷及其与四氰基乙烯生成电荷转移络合物的研究
Study on the preparation of high molecular weight poly ( ferrocenyl dimethylsilane ) through thermal ring opening polymerization and poly ( ferrocenyldimethylsilane ) / tcne charge transfer complex