| 酚醌类化合物振动基频的计算,归属和讨论 |
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| 引用本文： | 孙燕琼,杨融生,张汉辉,杨齐愉. 酚醌类化合物振动基频的计算,归属和讨论[J]. 光谱学与光谱分析, 2000, 20(6): 790-792 |
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| 作者姓名： | 孙燕琼 杨融生 张汉辉 杨齐愉 |
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| 作者单位： | 福州大学化学系,福州,350002 |
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| 基金项目： | 福建省自然科学基金资助 |
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| 摘 要： | 本文对４，５－二羟基１，２－苯醌和２，５－二羟基－１，４－苯醌 的振动基频进行了量化计算和实验测定，应用Ｇａｕｓｓｉａｎ９４和ＭＯＰＡＣ计算相结合的方法，取长补短，归属了其振动光谱，并对两者的差异做了讨论。
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| 关 键 词： | 酚醌 基频振动 红外光谱 振动光谱 结构优化 |
Vibrational Frequencies Study of the Hydroxy-benzoquinones |
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| Yanqiong SUN,Rongsheng YANG,Hanhui ZHANG,Qiyu YANG. Vibrational Frequencies Study of the Hydroxy-benzoquinones[J]. Spectroscopy and Spectral Analysis, 2000, 20(6): 790-792 |
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| Authors: | Yanqiong SUN Rongsheng YANG Hanhui ZHANG Qiyu YANG |
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| Affiliation: | Department of Chemistry, Fuzhou University, 350002 Fuzhou. |
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| Abstract: | In this paper,we report the Ab initio calculation and experimental investigation of the vibrational frequencies of 4,5 dihydroxy 1,2 benzoquinone and 2,5 dihydroxy 1,4 benzoquinone The main IR and Raman absorption bands of them have been assigned ,learned from other strong points to offset one weakness, by combination the program Gaussian 94 and MOPAC The difference in absorption bands between them has been discussed |
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| Keywords: | Hydroxy benzoquinones Vibrational frequency Infrared spectra |
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