| N,N-二甲基苯胺及正离子自由基结构特征的理论研究 |
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| 引用本文： | 蔺彬彬,仇永清,苏忠民,王晓兰,车文实,王荣顺. N,N-二甲基苯胺及正离子自由基结构特征的理论研究[J]. 东北师大学报(自然科学版), 2000, 32(4): 29-32 |
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| 作者姓名： | 蔺彬彬 仇永清 苏忠民 王晓兰 车文实 王荣顺 |
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| 作者单位： | 东北师范大学化学学院,功能材料化学研究所,吉林,长春,130024;黑河师范专科学校化学系,黑龙江,黑河,164300;东北师范大学化学学院,功能材料化学研究所,吉林,长春,130024;黑河师范专科学校化学系,黑龙江,黑河,164300 |
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| 基金项目： | 教育部归国人员基金资助项目!( [1 998]679号 ),教育部优秀青年基金资助项目!(教人司 [1 999]5号),吉林省科技发展计划项目!( 980 52 |
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| 摘 要： | 采用量子化学ａｂ ｉｎｉｔｉｏＨＦ方法,对Ｎ,Ｎ－二甲基苯胺及其正离子自由基的稳定性、几何结构和电子性质进行了讨论,结果表明：Ｎ,Ｎ－二甲基苯胺与其正离子自由基一样,为准平面的结构,不再是苯胺形的锥形结构;正离子自由基具有很好的稳定性。为了解共轭聚合物的结构和稳定自由基的化学性质提供了可靠的依据。
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| 关 键 词： | abinitio HF方法 N N-二甲基苯胺 正离子自由基 |
| 文章编号： | 1000-1832(2000)04-0021-04 |
| 修稿时间： | 2000-08-01 |
Theoretical study on structural property of N, Ndimethylaniline and it's radical cation |
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| LIN Bin-bin,QIU Yong-qing,SU Zhong-min,WANG Xiao-lan,CHE Wen-shi,WANG Rong-shun. Theoretical study on structural property of N, Ndimethylaniline and it's radical cation[J]. Journal of Northeast Normal University (Natural Science Edition), 2000, 32(4): 29-32 |
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| Authors: | LIN Bin-bin QIU Yong-qing SU Zhong-min WANG Xiao-lan CHE Wen-shi WANG Rong-shun |
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| Affiliation: | LIN Bin-bin(Institute of Functional Material Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, China Heihe Teacher's College, Department of Chemistry, Heihe 164300, China)QIU Yong-qing,SU Zhong-min,WANG Xiao-lan(Institute of Functional Material Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, China)CHE Wen-shi(Heihe Teacher's College, Department of Chemistry, Heihe 164300, China)WANG Rong-shun(Institute of Functional Material Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, China) |
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| Abstract: | Stability, geometric conformation and electronic property of the N,N-dimethylamiline and it's radical cation are discussed by quantum chemical ab initio HF method. The results show that N,N-dimethylaniline is quasi-planar and isn't pyramidal structure like aniline, same as it's radical cation; the radical cation is very stability. Which can provide the reliable basis for studying the structure of conjugated polymer and chemical property of stable radical. |
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| Keywords: | ab initio HF method N N-dimethylaniline radical cation |
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