| 四羰基合镍（0）配合物电子光谱的理论研究 |
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| 引用本文： | 黄元乔.四羰基合镍（0）配合物电子光谱的理论研究[J].培训与研究,2008,25(2):35-36. |
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| 作者姓名： | 黄元乔 |
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| 作者单位： | 湖北第二师范学院化学与生命科学系,武汉430205 |
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| 摘 要： | 由ZINDO/S方法的C（I组态相互作用）计算给出了配合物Ni（CO）4的理论电子吸收光谱,并对其形成化学键性质及几何结构进行了分析。几何优化采用RHF-SCF-PM3方法。
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| 关 键 词： | 四羰基镍 电子吸收光谱 ZINDO计算 |
Theoretical Study of Electronic Spectra on Nickel Tetracarbonyl |
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| HUANG Yuan-qiao.Theoretical Study of Electronic Spectra on Nickel Tetracarbonyl[J].Training and Research-Journal of Hubei College of Education,2008,25(2):35-36. |
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| Authors: | HUANG Yuan-qiao |
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| Institution: | HUANG Yuan-qiao (Department of Chemistry and Life Science, Hubei University of Education, Wuhan 430205, China) |
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| Abstract: | The theory spectra were given by the CI calculations of ZINDO / S method. The geometry tetracarbonyl and chemical bonds were discussed in this article by geometry optimization calculations method. |
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| Keywords: | nickel tetracarbonyl electronic absorption spectra ZINDO calculation structure of nickel of RHF-SCF-PM3 |
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