UV PHOTOELECTRON SPECTRAL AND THEORETICAL STUDIES ON TRIS(BUTADIENE)-MOLYBDENUM AND -TUNGSTEN

Article abstract of DOI:10.1016/S0022-328X(00)84323-5

The UV photoelectron spectra of tris(butadiene)molybdenum and -tungsten have been recorded and assigned with the assistance of extended Hueckel molecular orbital calculations.The spectra and calculations indicate substantial electron transfer from the metal to the ligand.The molecular orbital calculations have also indicated why these molecules adopt a trigonal prismatic rather than a octahedral geometry about the metal atom.The unusual C-C bond lengths in these complexes have been confirmed by a redetermination of the structure of tris(butadiene)molybdenum by X-ray crystallographic techniques and are discussed in the light of the calculations.