| 2-甲基-4-亚苄基-5-噁唑啉酮衍生物非线性光学材料的量子化学研究 |
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| 引用本文： | 李淑瑾,曹阳,周为群,张振江.2-甲基-4-亚苄基-5-噁唑啉酮衍生物非线性光学材料的量子化学研究[J].苏州大学学报(医学版),1998(3). |
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| 作者姓名： | 李淑瑾 曹阳 周为群 张振江 |
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| 作者单位： | 苏州大学化学化工学院，苏州大学化学化工学院，苏州大学水产学院，苏州大学水产学院 苏州 215006，苏州 215006，苏州 215115，苏州 215115 |
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| 摘 要： | 本文采用量子化学计算方法CNDO/S-CI程序计算了2-甲基-4-亚节基-5-噁唑啉酮衍生物的分子二阶极化率β_(vec).从微观上探讨了该类化合物的取代基的电子性质和取代基位置对分子二阶极化率β_(vec)的影响.结果表明2-甲基-4-亚苄基-5噁唑啉酮衍生物是一类值得研究的非线性光学材料.
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| 关 键 词： | 二阶极化率 衍生物 共轭体系 非线性光学材料 |
THEORETICAL STUDY OF NOLINEAR OPTICAL PROPERTIES OF THE SUBSTITUTED 2-METHYI-4-BENZYLIDENE-5-OXAZOLIDINONE DERIVARIVES |
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| Li Shujin Cao Yang.THEORETICAL STUDY OF NOLINEAR OPTICAL PROPERTIES OF THE SUBSTITUTED 2-METHYI-4-BENZYLIDENE-5-OXAZOLIDINONE DERIVARIVES[J].Journal of Suzhou University(Natural Science),1998(3). |
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| Authors: | Li Shujin Cao Yang |
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| Institution: | Li Shujin Cao Yang(Faculty of chemistry and chemical engineering Suzhou University 215006)Zhou Weiqun Zhang zhengjiang(Faculty of aquatic product Suzhou University 215115) |
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| Abstract: | The Second-order nonlinear optical polarizabilities of a series of substituted 2-methyll-4-benzylidene-5 oxazolidinone derivatives using the CNDO/S-CI method were calculated and the structure dependences of their nonlinear optical properties were studied. The results reveal that this kind of compounds have fairly large second-order polarizabilities. So we consider that this series of compounds are worthy of being studied further. |
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| Keywords: | second-order nonlinear optical polarizability derivatives conjugated system nonlinear materials |
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