Acta Phys. -Chim. Sin. ›› 1994, Vol. 10 ›› Issue (03): 254-259.doi: 10.3866/PKU.WHXB19940312

• ARTICLE • Previous Articles     Next Articles

Covalences of Be in [MeBe(C≡CMe)NMe3]2, [Be(C≡CR)2]n, [MeBeH·NMe3]2 and (BeH2)n

Yi Xiang-Hui, Li Le-Min, Xu Guang-Xian   

  1. Department of Chemistry, Guangxi Normal University, Guilin 541004; Department of Chemistry, Peking University, Beijing 100871
  • Received:1992-12-05 Revised:1993-02-25 Published:1994-03-15
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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.

Key words: Covalence, Natural bond orbitals, [MeBe(C≡CMe)NMe3]2, [Be(C≡CR)2]n, [MeBeH? NMe3]2, (BeH2)n