Finite field study on nonlinear optical properties of substituted ketene N,S-acetals
文献类型：期刊论文
| 作者 | Wang, P; Wang, CG; Zhu, PW; Ye, C |
| 刊名 | SCIENCE IN CHINA SERIES B-CHEMISTRY
 |
| 出版日期 | 1998-04-01 |
| 卷号 | 41期号:2页码:156-161 |
| 关键词 | Molecular First Hyperpolarizability Beta Am1/ff Substituted Ketene n S-acetals |
| ISSN号 | 1006-9291 |
| 英文摘要 | The nonlinear optical properties of title compounds calculated by AM1/finite field (AM1/FF) approach are discussed based on their crystal parameters. The origins of large molecular first hyperpolarizabilities beta and good transparency of the compounds are explained well through the aromatic character enhancement in the excited state and the short conjugation length in the ground state. Results show that the difference of beta values obtained by two experimental methods (Solvatochromic and Hyper Rayleigh Scattering) is due to the molecular quasi-two-dimension character and the octupolar components' contribution. The calculation has also demonstrated that the change of beta(xxx) caused by different donor substituents is linearly related with the Hammett substituent constant sigma(+). |
| 语种 | 英语 |
| WOS记录号 | WOS:000073919800006 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/74467]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Wang, P |
| 作者单位 | Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, P,Wang, CG,Zhu, PW,et al. Finite field study on nonlinear optical properties of substituted ketene N,S-acetals[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,1998,41(2):156-161. |
| APA | Wang, P,Wang, CG,Zhu, PW,&Ye, C.(1998).Finite field study on nonlinear optical properties of substituted ketene N,S-acetals.SCIENCE IN CHINA SERIES B-CHEMISTRY,41(2),156-161. |
| MLA | Wang, P,et al."Finite field study on nonlinear optical properties of substituted ketene N,S-acetals".SCIENCE IN CHINA SERIES B-CHEMISTRY 41.2(1998):156-161. |
入库方式： OAI收割
来源：化学研究所
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