| 苯甲酸分子的简正振动与拉曼光谱 |
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| 引用本文： | 韩礼刚,陶亚萍.苯甲酸分子的简正振动与拉曼光谱[J].洛阳师范学院学报,2011,30(11):20-22. |
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| 作者姓名： | 韩礼刚 陶亚萍 |
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| 作者单位： | 洛阳师范学院物理与电子信息学院,河南洛阳,471022 |
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| 摘 要： | 利用量子化学软件计算得出了苯甲酸分子的平衡构形,基于这个构形,理论上计算出了苯甲酸分子的简正振动光谱,并与实验测得的结果进行了比较,最后对其简正振动模式进行了全面归属.
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| 关 键 词： | 苯甲酸 平衡构型 简正振动 拉曼光谱 振动归属 |
Normal Vibration and Raman Spectrum of Benzoic Acid |
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| HAN Li-gang,TAO Ya-ping.Normal Vibration and Raman Spectrum of Benzoic Acid[J].Journal of Luoyang Teachers College,2011,30(11):20-22. |
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| Authors: | HAN Li-gang TAO Ya-ping |
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| Institution: | (College of Physics and Electronic Information,Luoyang normal university,Luoyang 471022,China) |
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| Abstract: | In this paper,the equilibrium geometry of benzoic acid is achieved through quantum chemistry method.The normal frequencies are elucidated based on this geometry,the calculated frequencies and the observed frequencies are compared,and finally the assignments of all the frequencies are made. |
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| Keywords: | benzoic acid equilibrium geometry normal vibration Raman spectrum vibration assignment |
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