Electronic density topology of metal—metal quadruple bond in some Mo complexes

✍ Scribed by Anibal Sierraalta

• Book ID: 103031762
• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 369 KB
• Volume: 227
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(94)00881-7

✦ Synopsis

The nature of the quadruple metal-metal bond for MMo(O&H)., (M=Mo, Cr), and Mo~X~(PH~)~ (X=CI, Br, I) complexes, was investigated using the Bader theory and relativistic pseudopotentials. The topological results show that the direct metal-metal interaction is dominated by a strong charge depletion at the bond critical point. The identity of the halide ligands in Mo*X~(PH~)~ complexes does not affect the electronic density of the MO-MO bond. This result is in accord with the experimental fact that the MO-MO distances in Mo*X~(PM~~)~ appears to be independent of the halide ligands.

' MOTECC-90TM package, IBM Corporation Center for Scientific and Engineering Computation, Kingston, NY, USA ( 1990).