The bonding and photoelectron spectra of Mn(CO)5H and Mn(CO)5CH3 Academic Article uri icon

abstract

  • Ab initio SCF MO calculations of the electronic structure of Mn(CO)5H and Mn(CO)5CH3 predict small (< 0.4 eV) splitting between the metal e and b2 orbitals and lead to a new interpretation of their photoelectron spectra which does not necessitate invoking π back-bonding to the -CH3 group in the case of Mn(CO)5CH3. © 1972.

published proceedings

  • Chemical Physics Letters

author list (cited authors)

  • Hall, M. B., Guest, M. F., & Hillier, I. H

citation count

  • 10

complete list of authors

  • Hall, MB||Guest, MF||Hillier, IH

publication date

  • September 1972