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Citation: Zhang Ying, Zhou Jia-Ju, Li En-Hui, Wei Tong-Shi, Wang Yun-Pu, Xu Zhi-Hong. Systematical Research on the Bond Valences of Molybdenum Cluster Compounds with Cambridge Structural Database[J]. Acta Physico-Chimica Sinica, ;1992, 8(01): 27-32. doi: 10.3866/PKU.WHXB19920107 shu

Systematical Research on the Bond Valences of Molybdenum Cluster Compounds with Cambridge Structural Database

1.
The Department of Chemsitry, Northwestern Normal University, Lanzhou 730070; Laboratory of Computer Chemistry of Chinese Academy Sciences, P.O.Box 353, Beijing 100080

Received Date: 28 June 1990
Available Online: 15 February 1992

Based on the structural information on 449 molybdenum cluster compounds in CSD (Cambridge Stuctural Database), the sum of valence electrons of molybdenum clusers, the average bond valences of Mo-Mo and the average bond lengths of Mo-Mo have been calculated. The current method uses the functions of retrieval, molecular plots and statistics in CSD. It is suggested that the valence electron counting rule ofmolybdenum cluster compouds is:
The sum of valence electrons of molybdenum cluster(k)+the sum of bond
valences for Mo-Mo×2=18×n-2×ΣΔ_i
and the sum of bond valence for Mo-Mo can be counted by using the formula:
v=(18×n-k)/2-ΣΔ_i
the geometry...
- Bond valence; Molybdenum cluster
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