Study of the Intramolecular Electron Transfer of Diphenyl-2-pyrazoline Compounds
文献类型：期刊论文
| 作者 | Guo Jianxin; Zhang Qiyuan |
| 刊名 | ACTA PHYSICO-CHIMICA SINICA
 |
| 出版日期 | 1996 |
| 卷号 | 12期号:9页码:780-785 |
| 关键词 | 2-pyrazoline Compound Electron Transfer Molecular Structure The First Excited Singlet State |
| ISSN号 | 1000-6818 |
| DOI | 10.3866/PKU.WHXB19960903 |
| 英文摘要 | The molecular geometry and the electronic structure of 2-pyrazoline(PZL), 1,3-biphenyl-2-pyrazoline (DPP) and their nitro derivatives are calculated. The results show that atoms in PZL ring in ground state are not located in a common plane bee se of the existence of the lone electron pair at atom N-1, and the benzene rings at 1-position and 3-position deviate off the plane of PZL ring. For the excited states of 1,o-DPP and 3,o-DPP, the corresponding benzene rings are perpendicular to the PZL ring, and the electrons are transfered from N-1 to the corresponding benzene rings. For the excited states of other cases, the benzene rings are nearly in the same plane as that of PZL ring, and the electron are transfered from N-1 to the position between N-2-C-3. |
| 语种 | 英语 |
| WOS记录号 | WOS:000207600200003 |
| 出版者 | PEKING UNIV PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/74069]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Guo Jianxin |
| 作者单位 | Acad Sinica, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Guo Jianxin,Zhang Qiyuan. Study of the Intramolecular Electron Transfer of Diphenyl-2-pyrazoline Compounds[J]. ACTA PHYSICO-CHIMICA SINICA,1996,12(9):780-785. |
| APA | Guo Jianxin,&Zhang Qiyuan.(1996).Study of the Intramolecular Electron Transfer of Diphenyl-2-pyrazoline Compounds.ACTA PHYSICO-CHIMICA SINICA,12(9),780-785. |
| MLA | Guo Jianxin,et al."Study of the Intramolecular Electron Transfer of Diphenyl-2-pyrazoline Compounds".ACTA PHYSICO-CHIMICA SINICA 12.9(1996):780-785. |
入库方式： OAI收割
来源：化学研究所
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