Portal de Periódicos da CAPES

Valence electronic structure of CH3F and CH3Cl: electron momentum distributions and separation energies

1987; Elsevier BV; Volume: 113; Issue: 2 Linguagem: Inglês

10.1016/0301-0104(87)80153-2

1873-4421

A. Minchinton, John P. Cook, E. Weigold, W. von Niessen,

Atomic and Molecular Physics

Fluoromethane (CH3F) has been studied by binary (e,2e) coincidence spectroscopy at 1200 eV using non-coplanar symmetric kinematics. Separation energy spectra have been determined in the energy range up to 50 eV at azimuthal angles of 0° and 9°. The separation energy spectra and electron momentum distributions measured for the valence orbitals of CH3F and CH3Cl are compared with the results of calculations employing SCF wavefunctions and outer valence as well as extended 2ph—TDA Green function methods. Electron density and momentum density maps have been generated for all valence orbitals of both molecules using the SCF wavefunctions and are used to explain differences in the bonding properties of the halomethanes investigated here.