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(03): 254-259.
doi:
10.3866/PKU.WHXB19940312
Citation: Yi Xiang-Hui, Li Le-Min, Xu Guang-Xian. 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(03): 254-259. doi: 10.3866/PKU.WHXB19940312
Citation: Yi Xiang-Hui, Li Le-Min, Xu Guang-Xian. 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(03): 254-259. doi: 10.3866/PKU.WHXB19940312
炔烃桥和氢桥铍化合物中铍原子的共价
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:
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共价
- / 自然键轨道(法)
- / [MeBe(C≡CMe)NMe3]2
- / [Be(C≡CR)2]n
- / [MeBeH?NMe3]2
- / (BeH2)n
English
Covalences of Be in [MeBe(C≡CMe)NMe3]2, [Be(C≡CR)2]n, [MeBeH·NMe3]2 and (BeH2)n
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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Key words:
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Covalence
- / Natural bond orbitals
- / [MeBe(C≡CMe)NMe3]2
- / [Be(C≡CR)2]n
- / [MeBeH? NMe3]2
- / (BeH2)n
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