Chemical Research in Chinese Universities ›› 1994, Vol. 10 ›› Issue (3): 220-226.
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WANG Rong-shun, PAN Xiu-mei, SU Zhong-min
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Abstract: The difference of cis-and trans-polyazoniethines were investigated using SCF-LCAO-MO AMl and CNDO '2-COmethods.Energy band structures and charge distribution of different isomers were obtained.The formation of C-H …N hydro-gen-bonds in the polymers and different contribution to cis-, trans-isomer stability have been systeniatically analysed in theory.The difference of electronic propcrties before and after the formation of hydrogen-bond were intensively studied.
Key words: Polyazomethine, Electronic property.Hydrogen-bond, CNDO/2-CO
WANG Rong-shun, PAN Xiu-mei, SU Zhong-min . The Difference of Electronic Properties and the Effect of Hydrogen-bond of cis-and trans-Polyazomethine[J]. Chemical Research in Chinese Universities, 1994, 10(3): 220-226.
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