| 新型锗掺杂聚吡咯络合物的电子结构 |
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| 引用本文： | 刘尚长 姜莉. 新型锗掺杂聚吡咯络合物的电子结构[J]. 辽宁大学学报(自然科学版), 1995, 22(3): 1-6 |
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| 作者姓名： | 刘尚长 姜莉 |
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| 作者单位： | [1]辽宁大学化学系 [2]沈阳进出口商品检验局 |
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| 摘 要： | 应用本组改进加速的ＣＮＤＯ／２量子化学方法计算和确定了ＧｅＣｌ２及其掺杂聚吡咯络合物的结构参数，从而给出了稳定形态的电子结构，比较合理的解释了成键情况，并对其络合物（ＰＰＧＣ）的合成和应用价值进行了理论上的评估，对以往仅是Ｌｅｗｉｓ酸阴离子掺杂的看法，提出了重要的补正。此类研究尚未见报道。
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| 关 键 词： | 掺杂聚吡咯 聚吡咯 电子结构 锗 配合物 |
Electronic Structure of A Novel Polypyrrole Complex Doped by Ge Liu Shangzhang Shu Ningying Ding |
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| Hongsheng. Electronic Structure of A Novel Polypyrrole Complex Doped by Ge Liu Shangzhang Shu Ningying Ding[J]. Journal of Liaoning University(Natural Sciences Edition), 1995, 22(3): 1-6 |
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| Authors: | Hongsheng |
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| Affiliation: | Hongsheng Department of Chemistry,Liaoning University JiangLi Import snd Export Commodity Inspection Bureau of Sheuyang |
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| Abstract: | The structure parameters of GeCl_2 and its doped polypyrrole complexwere calculated and fixed by CNDO/2 method modified and accelerated by the presentresearching group.the electronic structure of the stable species is thus given, Thebinding states is more reasonable interpreted,also,worth of synthesis and application ofcomplex (PPGC ) were evaluated theoretically; For early view regarded it merely asdoped Lewis acid anion,an important amendment is proposed. Work like this has not yetbeen seen. |
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| Keywords: | GeCl_2 Doped polypyrrole Molecular cluster complex.Polypyrroleelectronic structure CNDO/2method. |
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