The valence shell binding energy spectra and three inner valence orbitals electron momentum distributions for propane (C3H8) are measured by symmetric non-coplanar electron momentum spectroscopy at an impact energy of 1200 eV. The measured binding energy spectrum is compared with previously published results. The experimental momentum profiles of three inner valence orbitals are compared with calculated momentum profiles by Hartree-Fock and density functional theory (DFT-B3LYP) methods using double-zeta and 6-311++G** basis sets. Agreement is found between experimental and calculated results. The position and momentum space density maps for three inner valence orbitals of oriented C3H8 molecule are presented.
|Original language||English (US)|
|Number of pages||8|
|Journal||Journal of Physics B: Atomic, Molecular and Optical Physics|
|State||Published - Mar 28 1999|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics