Electronic structures of asymmetrically substituted phthalocyanines and their second non-linear optical properties
文献类型：期刊论文
| 作者 | Zhang, TL; Yan, JM |
| 刊名 | CHINESE JOURNAL OF CHEMISTRY
 |
| 出版日期 | 2001-03-01 |
| 卷号 | 19期号:3页码:233-240 |
| 关键词 | Asymmetrically Substituted Phthalocyanines Dipole Moment Energy Gap Differences Of Frontier Orbitals Second Order Non-linear Optical Coefficient |
| ISSN号 | 1001-604X |
| 英文摘要 | Quantum-chemical AM1 calculations were performed to study the geometries, the electronic structures and the second nonlinear optical properties of phthalocyanine and some asymmetrically substituted phthalocyanines, which include tert-butyl, amino, dimethylamino, nitro, fluoro, chloro, bromo, iodo and nitrile substituents. The relationships of the second non-linear optical coefficients beta with dipole moment mu, and beta with the energy-gap differences of frontier orbitals DeltaE(DA) were discussed. Two relationships are regular and all DeltaE(DA) - mu show very good linear relationship. |
| 语种 | 英语 |
| WOS记录号 | WOS:000167304600004 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/76689]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Yan, JM |
| 作者单位 | Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, TL,Yan, JM. Electronic structures of asymmetrically substituted phthalocyanines and their second non-linear optical properties[J]. CHINESE JOURNAL OF CHEMISTRY,2001,19(3):233-240. |
| APA | Zhang, TL,&Yan, JM.(2001).Electronic structures of asymmetrically substituted phthalocyanines and their second non-linear optical properties.CHINESE JOURNAL OF CHEMISTRY,19(3),233-240. |
| MLA | Zhang, TL,et al."Electronic structures of asymmetrically substituted phthalocyanines and their second non-linear optical properties".CHINESE JOURNAL OF CHEMISTRY 19.3(2001):233-240. |
入库方式： OAI收割
来源：化学研究所
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