| 1，4-二取代苯紫外吸收光谱中的取代基效应 |
| |
| 引用本文： | 陈冠凡,曹晨忠.1，4-二取代苯紫外吸收光谱中的取代基效应[J].化学物理学报(中文版),2009,22(4):366-370. |
| |
| 作者姓名： | 陈冠凡 曹晨忠 |
| |
| 作者单位： | 湖南科技大学化学化工学院,理论化学与分子模拟教育部重点实验室,分子构效关系湖南省高校重点实验室,湘潭411201 |
| |
| 基金项目： | ACKNOWLEDGMENTS This work was supported by the National Natural Science Foundation of China （No.20772028 and No.20472019）, the Natural Science Foundation of Hunan Province （No.06JJ2002）, and the Scientific Research Fund of Hunan Provincial Education Commission. |
| |
| 摘 要： | 构建激发态取代基参数与1，4-二取代苯的紫外吸收波数之间的模型，成功地关联80个1，4-二取代苯的紫外吸收波数，其方程的相关系数为0．9805，标准偏差仅为672．27cm^-1．结果表明激发态取代基参数适用于1，4-二取代苯紫外吸收能量的研究．同时提供了研究芳香化合物的紫外吸收光谱的新方法，并有利于深入理解多取代共轭化合物的激发态物理化学性质中的取代基效应．
|
| 关 键 词： | 激发态取代基参数 1 4-二取代苯 紫外吸收波数 取代基的相互作用 |
Effect of Excited-state Substituent Constant on the UV Spectra of 1,4-disubstituted Benzenes |
| |
| Guan-fan Chen,Chen-zhong Cao.Effect of Excited-state Substituent Constant on the UV Spectra of 1,4-disubstituted Benzenes[J].化学物理学报(中文版),2009,22(4):366-370. |
| |
| Authors: | Guan-fan Chen Chen-zhong Cao |
| |
| Institution: | {{each article.affiliations aff i}}
{{if aff.addressEn && aff.addressEn != ""}}
{{if aff.label && aff.label != "" && article.affiliations.length != 1}}{{@ aff.label}}.{{/if}}{{@ aff.addressEn}}{{/if}}
{{/each}} |
| |
| Abstract: | A correlation equation between the UV absorption wavenumbers of 1,4-disubstituted benzenes and the excited-state substituent constant was obtained. For 80 sorts of 1,4- disubstituted benzenes, the correlation coefficient was 0.9805, and the standard deviation was only 672.27 cm^-1. The results imply that the excited-state substituent constant can be used productively for research on UV energy of 1,4-disubstituted benzenes. The present method provides a new avenue to study the UV absorption spectra of aromatic systems with the excited-state substituent constant, and it is helpful to understand the effect of substituent electrostatic effects on the chemical and physical properties of conjugated compounds with multiple substituents in excited state. |
| |
| Keywords: | Excited-state substituent constant 1 4-disubstituted benzene UV absorption wavenumber Interaction of substituent |
| 本文献已被 维普 等数据库收录！ |
| 点击此处可从《化学物理学报(中文版)》浏览原始摘要信息 |
| 点击此处可从《化学物理学报(中文版)》下载免费的PDF全文 |
