Determining the excited‐state substituent constants of meta‐substituent from 3,4'‐disubstituted stilbenes |
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| Authors: | Chenzhong Cao Bin Sheng Guanfan Chen |
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| Institution: | School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan University of Science and Technology, Hunan Provincial University Key Laboratory of QSAR/QSPR, , Xiangtan, 411201 China |
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| Abstract: | In this paper, 61 samples of 3,4'‐disubstituted stilbenes and 18 samples of 3,3'‐disubstituted stilbenes were synthesized, and their UV data were measured in anhydrous ethanol. Based on the UV absorption energy (wavenumber) of 3,4'‐disubstituted stilbenes, the excited‐state substituent constants  of meta‐substituent were determined by means of curve‐fitting. The availability of  was confirmed by the good correlation with the UV absorption energy of 3,4'‐disubstituted stilbenes and 4,4'‐disubstituted stilbenes. Further, using the obtained constants  and the correlation equation, we calculated the UV wavenumbers of 3,3'‐disubstituted stilbenes, and the calculated wavenumbers are in good agreement with the experimental values. These results verified that the excited‐state substituent constants  of meta‐substituent are reliable parameter to scale the effect of meta‐substituent on the UV absorption energy. Copyright © 2012 John Wiley & Sons, Ltd. |
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| Keywords: | disubstituted stilbene excited‐state substituent constant meta‐substituent UV absorption energy |
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