Effect of Excited-state Substituent Constant on the UV Spectra of 1,4-disubstituted Benzenes |
| |
| Authors: | Guan-fan Chen and Chen-zhong Cao |
| |
| Institution: | School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Key Labo-
ratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan University of Science and Technology, Hunan Provincial Univeristy;School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Key Labo-
ratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan University of Science and Technology, Hunan Provincial Univeristy |
| |
| 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 |
|
| 点击此处可从《化学物理学报》浏览原始摘要信息 |
| 点击此处可从《化学物理学报》下载免费的PDF全文 |
|
