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Excited‐state substituent constants σ from substituted benzenes
Authors:Chenzhong Cao  Guanfan Chen  Zhiqing Yin
Institution:1. School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201, P. R. of China;2. School of Chemistry and Chemical Engineering, Central South University, Changsha 410083, P. R. of China
Abstract:In this work, 13 compounds of 4,4′‐disubstituted stilbenes and 5 compounds of 3‐methyl‐4′‐substituted stilbenes were prepared and their UV spectra were measured. A new substituent effect constant, namely excited‐state substituent constant, was proposed, which was calculated directly from the UV absorption energy data of substituted benzenes. The investigation result shows that the proposed constant is different from the existing polar substituent constants and radical substituent constants in nature. The availability of the new constant was confirmed by the good correlations with the UV absorption energy of four kinds of compounds, 1,4‐disubstituted benzenes, 4,4′‐disubstituted stilbenes, substituted ethenes, and m‐Y‐substituted aromatic compounds. It is expected that the excited‐state substituent constant can be applied in QSPR study on organic compounds at the excited state. Copyright © 2008 John Wiley & Sons, Ltd.
Keywords:excited‐state substituent constant  substituted benzene  substituent effect  substituted ethene  UV absorption energy
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