| 炔烃桥和氢桥铍化合物中铍原子的共价 |
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| 引用本文： | 义祥辉,黎乐民,徐光宪.炔烃桥和氢桥铍化合物中铍原子的共价[J].物理化学学报,1994,10(3):254-259. |
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| 作者姓名： | 义祥辉 黎乐民 徐光宪 |
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| 作者单位： | Department of Chemistry, Guangxi Normal University, Guilin 541004; Department of Chemistry, Peking University, Beijing 100871 |
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| 摘 要： | 根据作者之一提出的共价的新定义，用DV－X_αSCC和自然健轨道法研究了MeBe(C≡CMe)NMe_3]_2，Be(C≡CR)_2]_n，MeBeH·NMe_3]及(BeH_2)_n等化合物中铍原子的共价．结果表明，在这几种化合物中铍原子的共价都是6．
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| 关 键 词： | 共价 自然键轨道(法) [MeBe(C≡CMe)NMe3]2 [Be(C≡CR)2]n [MeBeH?NMe3]2 (BeH2)n |
| 收稿时间： | 1992-12-05 |
| 修稿时间： | 1993-02-25 |
Covalences of Be in [MeBe(C≡CMe)NMe3]2, [Be(C≡CR)2]n, [MeBeH·NMe3]2 and (BeH2)n |
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| Yi Xianghui.Covalences of Be in [MeBe(C≡CMe)NMe3]2, [Be(C≡CR)2]n, [MeBeH·NMe3]2 and (BeH2)n[J].Acta Physico-Chimica Sinica,1994,10(3):254-259. |
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| Authors: | Yi Xianghui |
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| Institution: | Department of Chemistry, Guangxi Normal University, Guilin 541004; Department of Chemistry, Peking University, Beijing 100871 |
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| Abstract: | In this paper, the electrouic structures of MeBe(C≡CMe)NMe_3]_2 and MeBeH·NMe_3]_2 were studied with the methods of DV-X_α SCC and natural bond or bitals(NBO), and then the covalences of Be in MeBe(C≡CMe)NMe_3]_2, Be(C≡CR)_2]_n, MeBeH·NMe_3]_2 and (BeH_2)_n were discussed on the basis of the new definition of cova lence proposed by one of the authors. The results show that the covalences of Be in all these compounds are 6. |
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| Keywords: | Covalence Natural bond orbitals [MeBe(C≡CMe)NMe3]2 [Be(C≡CR)2]n [MeBeH? NMe3]2 (BeH2)n |
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