【摘要】 文章介绍了高核过渡金属簇合物的各种电子计数规则的研究现状.高核过渡金属簇合物的电子计数规则的公式可表示为NVE=2（4 n_s+9 M_s-L_s+L_i+xM_i+Z）+K.其中,NVE表示簇合物的价电子数.n_s和M_s分别表示整个骨架表面上拥有的主族原子数和过渡金属原子数.Ls表示骨架表面上的边数.Mi项表示填隙过渡金属原子数.Li表示由填隙原子间所形成的边数.x是M_i项的系数,填隙过渡金属原子不与其他填隙过渡金属原子生成化学键时,x=0;填隙过渡金属原子M_i项与其他填隙过渡金属原子生成化学键时,x=1.Z表示用Wade规则或Lauher的EHMO方法计算的NVE值与用稀有气体规则计算的NVE值之差的二分之一.M_i0表示被埋藏在Z值大于零的分骨架内部的填隙过渡金属原子,它可看作仅提供价电子的配体.n_s项必须参与形成埋藏M_i0项的Z值大于零的分骨架.L_i不能由M_i0和其他原子组成.K表示成单的价电子数.更多还原

【Abstract】 This paper introduces the current progress on electron-counting rules for high-nuclearity transition metal clusters. The equation on the rule for high-nuclearity transition metal clusters is suggested as follows: NVE = 2（ 4n_s+ 9M_s-L_s+ L_i+ xM_i+ Z） + K in which NVE is the number of cluster valence electrons. nsand Msare the number of surface main group atoms and surface transition metal atoms. Msincludes capping transition metal atoms. Lsis the number of surface edges. Miis the number of interstitial transition metal atoms. If an interstitial atom lies in pyramid top,it can not constitute a pentagonal pyramid,hexagonal pyramid,or polygonal pyramid（ vertices more than 6） with surface transition metal atoms.Liis the number of edges made by interstitial atoms. x is the coefficients of Mix is equal to 0 if chemical bonds don’t exist between interstitial transition metal atoms; x is 1 if chemical bonds exist between Miterms.（ NVE）Wis the number of valence electrons obtained from Wade’s rule or Lauher’s EHMO method,（ NVE）Lis the number of valence electrons obtained from the noble gas rule,（ NVE）Wminus（ NVE）Lequal to 2 Z. An interstitial transition metal atom is buried inside fragments（ Z > 0） indicated by M_i0,which is only to be as electron donor. nsdoesn’t include the interstitial and capping main group atoms,and must participate to generate a fragment（ Z > 0） inside which M_i0 is buried. Licouldn’t be made by M_i0 with other atoms. K is the number of single valence electrons.更多还原