| Effects of molecular structure parameters on ring-opening reaction of benzoxazines |
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| 作者姓名： | 刘欣 顾宜 |
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| 作者单位： | LIU Xin GU YiState Key Laboratory of Polymer Materials Engineering，Department of Polymer Materials Science and Engineering，Sichuan University，Chengdu 610065，China |
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| 基金项目： | the National Natural Science Foundation of China (Grant No. 59573008). |
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| 摘 要： | A colorless monoclinic crystal of dichloro-benzoxazine was obtained and examined by single crystal X-ray diffraction analysis. At the same time, molecular modeling analysis of nine benzoxazine compounds with different substituting groups was performed. Both single crystal X-ray diffraction analysis and molecular modeling analysis provide a detailed picture of molecular structure on molecular level and show good consistence with each other. On the basis of structural analysis, the effects of molecular structure parameters on ring-opening polymerization of ben-zoxazines have been explored.
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| 收稿时间： | 11 June 2001 |
Effects of molecular structure parameters on ring-opening reaction of benzoxazines |
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| LIU Xin,GU Yj.Effects of molecular structure parameters on ring-opening reaction of benzoxazines[J].Science in China(Chemistry),2001,44(5):552-560. |
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| Authors: | LIU Xin GU Yj |
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| Affiliation: | State Key Laboratory of Polymer Materials Engineering, Department of Polymer Materials Science and Engineering,Sichuan University, Chengdu 610065, China |
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| Abstract: | A colorless monoclinic crystal of dichloro-benzoxazine was obtained and examined by single crystal X-ray diffraction analysis. At the same time, molecular modeling analysis of nine benzoxazine compounds with different substituting groups was performed. Both single crystal X-ray diffraction analysis and molecular modeling analysis provide a detailed picture of molecular structure on molecular level and show good consistence with each other. On the basis of structural analysis, the effects of molecular structure parameters on ring-opening polymerization of ben-zoxazines have been explored. |
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| Keywords: | benzoxazines single crystal structure parameters |
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