Bonding in Bis(pentalene)dimolybdenum:  Density Functional Calculations on Mo2(C8H6)2 and Photoelectron Spectroscopy of Mo2(C8H4(1,4-SiPri 3)2)2

He I and He II photoelectron spectra are reported for Mo2[C8H4(1,4-SiPri 3)2]2. Density functional calculations on the model compound Mo2(C8H6)2 give a structure with bond lengths and ionization energies in good agreement with those found for Mo2[C8H4(1,4-SiPri 3)2]2. Fragment analysis of the bondin...

Full description

Saved in:
Bibliographic Details
Published inOrganometallics Vol. 18; no. 6; pp. 1087 - 1090
Main Authors Cloke, F. Geoffrey N, Green, Jennifer C, Jardine, Christian N, Kuchta, Matthew C
Format Journal Article
LanguageEnglish
Published American Chemical Society 15.03.1999
Online AccessGet full text

Cover

More Information
Summary:He I and He II photoelectron spectra are reported for Mo2[C8H4(1,4-SiPri 3)2]2. Density functional calculations on the model compound Mo2(C8H6)2 give a structure with bond lengths and ionization energies in good agreement with those found for Mo2[C8H4(1,4-SiPri 3)2]2. Fragment analysis of the bonding in Mo2(C8H6)2 indicates a double bond between the two Mo atoms. The bonding to the pentalene ligands is very covalent and resembles that found for simple metallocenes.
Bibliography:ark:/67375/TPS-KD8B8M0G-V
istex:15CC4D8FF9F3BBEA46F62186140EBC1CC9A47F66
ISSN:0276-7333
1520-6041
DOI:10.1021/om980792u