An attempt of molecular design and synthesis of 3,4′/4,3′‐disubstituted benzylideneanilines with specified UV–Vis absorption maximum wavelength |
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| Authors: | Linyan Wang Chaotun Cao Chenzhong Cao |
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| Institution: | 1. School of Chemistry and Chemical Engineering, Central South University, , Changsha, 410083 China;2. School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, , Xiangtan, 411201 China;3. Key Laboratory of Theoretical Organic Chemistry and Function Molecule (Hunan University of Science and Technology), Ministry of Education, Hunan Provincial University Key Laboratory of QSAR/QSPR, Hunan University of Science and Technology, , Xiangtan, 411201 China |
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| Abstract: | Thirty‐one samples of 3,4′/4,3′‐disubstituted benzylideneanilines (XBAY) with specified UV–Vis absorption maximum wavelength (λmax) were designed and synthesized by applying the equation (Eqn 1 ) which was abstracted from the UV–Vis absorption maximum wavelength energy (νmax = 1/λmax) of 4,4′‐disubstituted benzylideneanilines. Then, the UV–Vis data (λmax) of the designed compounds were measured in anhydrous ethanol. The predicted UV–Vis data of designed compounds are in agreement with the experimental ones, in which the mean absolute error is 2.9 nm. The results show that Eqn 1 is applicative for the prediction of UV–Vis absorption λmax values of both 4,4′‐disubstituted benzylideneanilines and 3,4′/4,3′‐disubstituted benzylideneanilines. For a same pair of groups (X and Y), one can at least get four disubstituted benzylideneaniline compounds which have different λmax values. It perhaps provides a convenient method to design an optical material for benzylideneaniline compounds. Copyright © 2014 John Wiley & Sons, Ltd. |
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| Keywords: | disubstituted benzylideneaniline UV spectrum molecular design synthesis |
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