物理化学学报 >> 1987, Vol. 3 >> Issue (05): 449-452.doi: 10.3866/PKU.WHXB19870501

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应用晶体结构数据进行化学反应途径研究
Ⅰ. 五配位钼化合物Mo(L)5的动态立体化学

廖代清; 傅亨; 唐有祺   

  1. 中国科学院化学研究所, 北京
  • 收稿日期:1987-04-29 修回日期:1987-05-19 发布日期:1987-10-15

THE APPLICATION OF STRUCTURAL DATA TO THE RESEARCH ON CHEMICAL REACTION PATHWAYS,
I. DYNAMIC STEREOCHEMISTRY OF FIVECOORDINATE MOLYBDENUM COMPOUNDS Mo(L)5

Liao Daiqing; Fu Heng; Tang Yougi   

  1. Institute of Chemistry; Academia Sinica; Beijing; China
  • Received:1987-04-29 Revised:1987-05-19 Published:1987-10-15

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Abstract: The principle of structure correlation is applied to 28 crystal structures which contain 44 different five-coordinate molybdenum fragments. The data derived map the reaction pathway for a bimolecular ligand substitution reaction at tetrahedral molybdenum centers. The dihedral-angle method from Muetterties and Guggenberger is employed in order to describe the interconversion between the trigonal bipyramidal (TBP) and the square pyramidal (SQP) conformations via the Berry pseudorotation mechanism in the system of Mo(L)_5 complexes. This structure correlation method provides a convincing mapping of the Berry pathway in this paper.