Determining the excited‐state substituent constants of furyl and thienyl groups |
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| Authors: | Junyan Qu Chao‐Tun Cao Chenzhong Cao |
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| Affiliation: | Key Laboratory of Theoretical Organic Chemistry and Function Molecule, Ministry of Education, Key Laboratory of QSAR/QSPR of Hunan Provincial University, School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan, China |
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| Abstract: | Six series of styrene derivatives XCH═CHArY (total of 65) containing the styrene parent molecular skeleton were synthesized (here, Y is OMe, Me, H, F, Cl, CF3, CN, and NO2, and X is 2‐furyl, 3‐furyl, 2′‐methyl‐2‐furyl, 2‐thienyl, 3‐thienyl, and 2′‐methyl‐2‐theniyl). Their ultraviolet absorption spectra were measured in anhydrous ethanol, and their wavelength of absorption maximum λmax was recorded. For the wavenumber νmax (cm?1, νmax = 1/λmax) of the obtained λmax, a quantitative correlation analysis was performed, and 6 excited‐state substituent constants  of groups X were obtained by means of curve‐fitting method. Taking the νmax values of total 90 compounds of styrene derivatives as a data set (including 25 compounds from reference and 65 compounds of this work), a quantitative correlation analysis was performed, and the reliability of the obtained  was verified. In addition, 12 samples of disubstituted Schiff bases (XCH═NArY) involving the above groups X were synthesized, and their νmax values were recorded. Using these 12 νmax together with the 14 νmax values of Schiff bases taken from reference (total of 26 compounds), it was further verified that the  values are reliable by means of quantitative correlation method. |
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| Keywords: | excited‐state constant furyl styrene thienyl UV absorption spectrum |
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of groups X were obtained by means of curve‐fitting method. Taking the νmax values of total 90 compounds of styrene derivatives as a data set (including 25 compounds from reference and 65 compounds of this work), a quantitative correlation analysis was performed, and the reliability of the obtained 
was verified. In addition, 12 samples of disubstituted Schiff bases (XCH═NArY) involving the above groups X were synthesized, and their νmax values were recorded. Using these 12 νmax together with the 14 νmax values of Schiff bases taken from reference (total of 26 compounds), it was further verified that the 
values are reliable by means of quantitative correlation method.