Acta Chimica Sinica ›› 1990, Vol. 48 ›› Issue (8): 742-747. Previous Articles     Next Articles

Original Articles

第二过渡金属双核物的从头算研究 Ⅱ:四羟基桥联双核物的化学键

林梦海;张乾二   

  1. 厦门大学化学系
  • 出版日期:1990-08-15 发布日期:1990-08-15

The studies on dinuclear compounds of the second transition series II. teh chemical bond of dinuclear compounds with tetracarboxylic bridges

LIN MENGHAI;ZHANG QIANER   

  • Online:1990-08-15 Published:1990-08-15

Calculation by the ab initio effective core potentials method on the M2(O2CR)4L2 species (M = Mo, Tc, Ru, Rh) was performed and the electronic structure of these mols. is discussed. There are not only localized s, p bonds, but also delocalized bonds between metals in these mols. The delocalized bonds consist of two metal atoms and four carboxyl ligands.a

Key words: HYDROXY GROUP, MOLYBDENUM COMPLEX, CHEMICAL BONDS, ELECTRONIC STRUCTURE, AB INITIO CALCULATION, TRANSITION METAL COMPLEX, DINUCLEAR COMPLEX, BRIDGE COMPOUNDS, RUTHENIUM COMPLEX

CLC Number: