The electronic structure of transition metal complexes containing organic ligands
- 1 January 1976
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 31 (1) , 23-32
- https://doi.org/10.1080/00268977600100031
Abstract
The He(I), He(II) and X-ray photoelectron spectra of iron tricarbonyl trimethylenemethane are reported, and these measurements, together with the bonding in the complex, are discussed with the aid of ab initio SCF MO calculations. The organic ligand is found to bear a net negative charge, and, as was found for other complexes, the position of the low energy photo-electron bands arising from the metal orbitals are inaccurately predicted using Koopmans' theorem.Keywords
This publication has 12 references indexed in Scilit:
- The electronic structure of transition metal complexes containing organic ligandsMolecular Physics, 1975
- The electronic structure of transition metal complexes containing organic ligandsMolecular Physics, 1975
- The electronic structure of transition metal complexes containing organic ligandsMolecular Physics, 1974
- On methods for converging open-shell Hartree-Fock wave-functionsMolecular Physics, 1974
- Triplet electronic ground state of trimethylenemethaneJournal of the American Chemical Society, 1974
- Photoelectron studies of metal carbonyls. Part 2.—The valence region photoelectron spectra of the group VIA hexacarbonylsJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1973
- Trimethylenemethane iron tricarbonyl complexesJournal of the American Chemical Society, 1972
- Photoelectron Spectrum of Trimethylenemethane Iron Tricarbonyl and a Theoretical Study of TrimethylenemethaneThe Journal of Chemical Physics, 1969
- Alternant molecular orbital treatment of trimethylenemethyl, C(CH2)3and its ionsMolecular Physics, 1964
- Some Studies in Molecular Orbital Theory I. Resonance Structures and Molecular Orbitals in Unsaturated HydrocarbonsThe Journal of Chemical Physics, 1950