| 两种硝基苯甲酰胍化合物的振动光谱研究 |
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| 引用本文： | 巫文静,鲁润华,师彦平.两种硝基苯甲酰胍化合物的振动光谱研究[J].光谱学与光谱分析,2006,26(4):658-662. |
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| 作者姓名： | 巫文静 鲁润华 师彦平 |
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| 作者单位： | 1. 中国科学院兰州化学物理研究所, 甘肃 兰州 730000
2. 中国科学院成都生物研究所, 四川 成都 610041 |
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| 摘 要： | 酰胍基化合物具有抗菌活性高、毒性和副作用小的特点，广泛用于药物和药物中间体的合成。文章采用简单的方法合成了两种硝基苯甲酰胍类化合物，并对其振动频率进行了量化计算，运用Gaussian 98化学软件对其振动光谱进行了归属。结果表明：理论计算结果与实验结果相吻合，计算结果对实验数据的归属具有指导意义。
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| 关 键 词： | 硝基苯甲酰胍 振动光谱 量化计算 |
| 文章编号： | 1000-0593（2006）04-0658-05 |
| 收稿时间： | 2004-12-29 |
| 修稿时间： | 2005-03-28 |
Study on the Vibrational Spectra of Two Nitrobenzoyl Substituted Guanidines |
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| WU Wen-jing,LU Run-hua,SHI Yan-ping.Study on the Vibrational Spectra of Two Nitrobenzoyl Substituted Guanidines[J].Spectroscopy and Spectral Analysis,2006,26(4):658-662. |
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| Authors: | WU Wen-jing LU Run-hua SHI Yan-ping |
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| Institution: | 1. Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000, China2. Chengdu Institute of Biology, Chinese Academy of Sciences, Chengdu 610041, China |
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| Abstract: | p-nitrobenzoyl tetramethylguanidine and m-nitrobenzoyl tetramethylguanidine were synthesized by simple methods. Their main IR and Raman spectra were measured, quantum-calculated, and assigned by the program Gaussian 98. The results showed that the theoretical spectra were in good agreement with the experimental ones, and can be used as a guidance in the interpretation of experimental spectra. |
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| Keywords: | Nitrobenzoyl tetramethylguanidine Vibrational spectra Quantum chemistry calculation |
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