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  • Title: [Computational study on the electronic absorption transitions for 2,3-diaryl maleic anhydrides].
    Author: Wang Q, Liu Y, Zhang ML, Liu Y.
    Journal: Guang Pu Xue Yu Guang Pu Fen Xi; 2005 May; 25(5):685-7. PubMed ID: 16128063.
    Abstract:
    The electronic absorption transitions for 2, 3-bis (2, 4-dimethylthiophen-3-yl) maleic anhydride were calculated by time-dependent method with 6-31G(d) basis at structures optimized at B3LYP/6-31G(d) level. The S1, S2, and S3 transitions calculated for the open and the closed forms of the compound are 390, 360.5, 339.4; 584.6, 395.8, 370.2 nm, respectively. The results are comparable to the electronic absorption spectrum of 2,3-bis(2,4,5-trimethylthiophen-3-yl) maleic anhydride which bears extra methyl groups that should not have much effects on the spectrum. The oscillator strengths are well correlated to the spectrum peak heights.
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