| 四种锌的金属有机配合物的荧光激发光谱量于化学研究 |
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| 引用本文： | 吴雪梅,王莹,廖显威. 四种锌的金属有机配合物的荧光激发光谱量于化学研究[J]. 西南民族学院学报(自然科学版), 2003, 29(6): 698-700 |
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| 作者姓名： | 吴雪梅 王莹 廖显威 |
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| 作者单位： | 四川师范大学化学系 成都610068(吴雪梅，王莹)，四川师范大学化学系 成都610068(廖显威) |
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| 基金项目： | 四川省教委重点科研项目资助课题(1998-143)，国家自然科学基金(20134020) |
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| 摘 要： | 采用量子化学半经验方法RHF/PM3,对四种金属有机配合物分子进行构型优化,对优化后的构型作振动分析,均未出现虚频率,在此基础上用RHF/CIS方法分别计算了它们的荧光激发光谱,所得结果与实验值基本符合.
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| 关 键 词： | 金属有机配合物 量子化学 荧光光谱 CIS |
| 文章编号： | 1003-2843(2003)06-0698-03 |
| 修稿时间： | 2003-03-26 |
A study of fluorescence spectra of four metal-organic complexes |
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| WU Xue-mei,WANG Ying,LIAO Xian-wei. A study of fluorescence spectra of four metal-organic complexes[J]. Journal of Southwest Nationalities College(Natural Science Edition), 2003, 29(6): 698-700 |
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| Authors: | WU Xue-mei WANG Ying LIAO Xian-wei |
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| Abstract: | The fluorescence spectra of the four metal-organic complexes have been studied. Geometric configurations of the four metal-organic complexes have been optimized by semi-empirical method RHF/PM3 of quantum chemistry, and there are no imaginary frequencies in vibrational analyses. Their fluorescence spectra have also been calculated by RHF/CIS. The results of calculation are essentially consistent with experimental values. |
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| Keywords: | metal-organic complexes quantum chemistry fluorescence spectra CIS |
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