| La(NO3)3·bipy·2H2O·(B-15-C-5)电子结构和电化学键 |
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| 引用本文： | 董南,朱龙观,吴念慈.La(NO3)3·bipy·2H2O·(B-15-C-5)电子结构和电化学键[J].物理化学学报,1993,9(2):252-255. |
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| 作者姓名： | 董南 朱龙观 吴念慈 |
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| 作者单位： | Department of Chemistry, Hangzhou University, Hangzhou 310028 |
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| 摘 要： | 稀土硝酸盐与双啮杂环胺配体α,α′联吡啶(bipy)的配合物研究不多.Hart 等合成了Ln(NO_3)_3(bipy)_2配合物;亦已解析了3个晶体结构:La(NO_3)_3(bipy)_2,Tb(NO_3)_3(bipy)_2,La(NO_3)3·bipy·2H_2O·(B-15-C-5)(B-15-C-5=苯并15-冠-5,).我们对La(NO_3)_3(bipy)_2的电子结构和化学键作过研究.本文利用自旋非限制适于稀土配合物计算的INDO方法研究了La(NO_3)_3·bipy·
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| 关 键 词： | INDO 镧配合物 电子结构 化学键 |
| 收稿时间： | 1991-11-18 |
| 修稿时间： | 1992-04-24 |
Electronic Structure and Chemical Bond of Complex La(NO3)3·bipy·2H2O·(B-15-C-5) |
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| Dong Nan Zhu Longguan Wu Nianci.Electronic Structure and Chemical Bond of Complex La(NO3)3·bipy·2H2O·(B-15-C-5)[J].Acta Physico-Chimica Sinica,1993,9(2):252-255. |
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| Authors: | Dong Nan Zhu Longguan Wu Nianci |
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| Institution: | Department of Chemistry, Hangzhou University, Hangzhou 310028 |
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| Abstract: | The electronic structure and chemical bonds in La(NO_3)_3·bipy·2H_2O·(B-15-C-5) has been studied by INDO method. The results indicated that 5d orbitals of La have largest contribution and 4f orbitals have hardly contribution in all valence orbitals of La in coordinate bonds of La—O and La—N. B-15-C-5 does not coordinate with La, but it effects formation of the complex and chemical bond. |
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| Keywords: | INDO Chemical bond Electronic structure La-complex compound |
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