Theoretical study on the electronic structures and non-linear optical properties of phthalocyanine and its asymmetrically substituted derivatives
文献类型：期刊论文
| 作者 | Zhang, TL; Yan, JM |
| 刊名 | ACTA CHIMICA SINICA
 |
| 出版日期 | 2000 |
| 卷号 | 58期号:8页码:981-987 |
| 关键词 | Asymmetrically Substituted Phthalocyanines Second Non-linear Optical Coefficient Charge Transfer Dipolemoment Energy Difference Of Frontier Orbital |
| ISSN号 | 0567-7351 |
| 英文摘要 | The electronic structures and the non-linear optical properties of some asymmetrically substituted phthalocyanines have been studied using the AM1 method. The results show that there is some regularity between the dipole moment mu, the energy difference of frontier orbital Delta E-DA, charge transfer Delta Q(DA) and the non-linear optical coefficient beta. The relationship between mu and beta is similar to the that between Delta E-DA and beta. |
| 语种 | 英语 |
| WOS记录号 | WOS:000089003400010 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/75675]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zhang, TL |
| 作者单位 | Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, TL,Yan, JM. Theoretical study on the electronic structures and non-linear optical properties of phthalocyanine and its asymmetrically substituted derivatives[J]. ACTA CHIMICA SINICA,2000,58(8):981-987. |
| APA | Zhang, TL,&Yan, JM.(2000).Theoretical study on the electronic structures and non-linear optical properties of phthalocyanine and its asymmetrically substituted derivatives.ACTA CHIMICA SINICA,58(8),981-987. |
| MLA | Zhang, TL,et al."Theoretical study on the electronic structures and non-linear optical properties of phthalocyanine and its asymmetrically substituted derivatives".ACTA CHIMICA SINICA 58.8(2000):981-987. |
入库方式： OAI收割
来源：化学研究所
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