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| 方形(S,S,S,S)手性环芳烃的紫外吸收光谱和圆二色谱的量子化学研究 | |
| 引用本文： | 苟高章,赵升逵,沈燕琼,马永翠,张新焕,莽朝永.方形(S,S,S,S)手性环芳烃的紫外吸收光谱和圆二色谱的量子化学研究[J].云南民族大学学报(自然科学版),2011,20(3):220-224. |
| 作者姓名： | 苟高章 赵升逵 沈燕琼 马永翠 张新焕 莽朝永 |
| 作者单位： | 1. 云南师范大学化学化工学院,云南昆明,650500 2. 云南民族大学化学与生物技术学院,云南昆明,650500 3. 大理学院药学与化学学院,云南大理,671000 |
| 基金项目： | 云南省教育厅科学研究基金 |
| 摘 要： | 采用密度泛函理论研究了方形(S,S,S,S)手性环芳化合物的紫外吸收光谱(UV-Vis)和电子圆二色谱(ECD),从微观角度分析了产生UV-Vis、ECD谱吸收的分子轨道电子跃迁情况,解释了分子结构与光学活性的关系. |
| 关 键 词： | 环芳化合物 手性光学活性 电子圆二色谱 康登效应 密度泛函理论 |
Quantum Chemical Study on the Ultraviolet Spectra and Circular Dichroism of Square (S, S, S, S) Chiral Aromatic |
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| GOU Gao-zhang,ZHAO Sheng-kui,SHEN Yan-qiong,MA Yong-cui,ZHANG Xin-huan,MANG Chao-yong.Quantum Chemical Study on the Ultraviolet Spectra and Circular Dichroism of Square (S, S, S, S) Chiral Aromatic[J].Journal of Yunnan Nationalities University:Natural Sciences Edition,2011,20(3):220-224. | |
| Authors: | GOU Gao-zhang ZHAO Sheng-kui SHEN Yan-qiong MA Yong-cui ZHANG Xin-huan MANG Chao-yong |
| Institution: | GOU Gao-zhang1,ZHAO Sheng-kui2,SHEN Yan-qiong2,MA Yong-cui1,ZHANG Xin-huan1,MANG Chao-yong3(1.School of Chemistry and Chemical Engineering,Yunnan Normal University,Kunming 650500,China,2.School of Chemistry and Biotechnology,Yunnan University of Nationalities,3.College of Pharmacy and Chemistry,Dali University,Dali 671000,China) |
| Abstract: | Using the density functional theory to study the ultraviolet spectra(UV-Vis) and electronic circular dichroism(ECD) of square(S,S,S,S) chiral cyclophane.From the microscopic point of view it analyzes the UV-Vis and ECD with the molecular orbital electronic transition absorption of the origin,and explains the relationship between the molecular structure and the optical activity. |
| Keywords: | cyclophane compound chiral optical activity electronic circular diachronic Cotton effect density functional theory |
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