| The Difference of Electronic Properties and the Effect of Hydrogen－bondofcis－and trans－Polyazomethine |
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| 作者姓名： | WANG Rong-shun PAN Xiu-mei and SU Zhong-min |
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| 作者单位： | Department of Chemistry，Northeast Normal University，Changchun，130024 |
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| 摘 要： | ＴｈｅＤｉｆｆｅｒｅｎｃｅｏｆＥｌｅｃｔｒｏｎｉｃＰｒｏｐｅｒｔｉｅｓａｎｄｔｈｅＥｆｆｅｃｔｏｆＨｙｄｒｏｇｅｎ－ｂｏｎｄｏｆｃｉｓ－ａｎｄｔｒａｎｓ－ＰｏｌｙａｚｏｍｅｔｈｉｎｅＷＡＮＧＲｏｎｇ－ｓｈｕｎ，ＰＡＮＸｉｕ－ｍｅｉａｎｄＳＵＺｈｏｎｇ...
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The Difference of Electronic Properties and the Effect of Hydrogen-bond of cis-and trans- Polyazomethine |
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| WANG Rong-shun,PAN Xiu-mei and SU Zhong-min.The Difference of Electronic Properties and the Effect of Hydrogen-bond of cis-and trans- Polyazomethine[J].Chemical Research in Chinese University,1994(3). |
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| Authors: | WANG Rong-shun PAN Xiu-mei and SU Zhong-min |
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| Abstract: | he difference of cis -and trans-polyazoniethines were investigated using SCF- LCAO-MO AMl and CNDO '2-CO methods. 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. |
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| Keywords: | Polyazomethine Electronic property Hydrogen-bond CNDO/2-CO |
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