Guan-fan Chen, Chen-zhong Cao. Effect of Excited-state Substituent Constant on the UV Spectra of 1,4-disubstituted Benzenes[J]. Chinese Journal of Chemical Physics , 2009, 22(4): 366-370. doi: 10.1088/1674-0068/22/04/366-370
Citation: Guan-fan Chen, Chen-zhong Cao. Effect of Excited-state Substituent Constant on the UV Spectra of 1,4-disubstituted Benzenes[J]. Chinese Journal of Chemical Physics , 2009, 22(4): 366-370. doi: 10.1088/1674-0068/22/04/366-370

Effect of Excited-state Substituent Constant on the UV Spectra of 1,4-disubstituted Benzenes

doi: 10.1088/1674-0068/22/04/366-370
Funds:  This work was supported by the National Natural Science Foundation of China (No.20772028 andNo.20472019), the Natural Science Foundation of Hu-nan Province (No.06JJ2002), and the Scientific Research Fund of Hunan Provincial Education Commission.
  • Received Date: 2009-02-14
  • 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.
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Effect of Excited-state Substituent Constant on the UV Spectra of 1,4-disubstituted Benzenes

doi: 10.1088/1674-0068/22/04/366-370
Funds:  This work was supported by the National Natural Science Foundation of China (No.20772028 andNo.20472019), the Natural Science Foundation of Hu-nan Province (No.06JJ2002), and the Scientific Research Fund of Hunan Provincial Education Commission.

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.

Guan-fan Chen, Chen-zhong Cao. Effect of Excited-state Substituent Constant on the UV Spectra of 1,4-disubstituted Benzenes[J]. Chinese Journal of Chemical Physics , 2009, 22(4): 366-370. doi: 10.1088/1674-0068/22/04/366-370
Citation: Guan-fan Chen, Chen-zhong Cao. Effect of Excited-state Substituent Constant on the UV Spectra of 1,4-disubstituted Benzenes[J]. Chinese Journal of Chemical Physics , 2009, 22(4): 366-370. doi: 10.1088/1674-0068/22/04/366-370

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