Joint experimental and theoretical study of vibrationally inelastic electron scattering on propane

Duska B Popović; Donald E David; Josef Michl; Roman Curík; Petr Cársky

doi:10.1063/1.1807372

Joint experimental and theoretical study of vibrationally inelastic electron scattering on propane

J Chem Phys. 2004 Dec 1;121(21):10551-5. doi: 10.1063/1.1807372.

Authors

Duska B Popović¹, Donald E David, Josef Michl, Roman Curík, Petr Cársky

Affiliation

¹ Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO 80309-0215, USA.

PMID: 15549938
DOI: 10.1063/1.1807372

Abstract

Vibrational electron energy loss spectra were measured for propane at incident energies of 3, 6, 10, 15, 20, and 25 eV at scattering angles of 40 degrees, 55 degrees, 70 degrees, 85 degrees, and 100 degrees . The spectra are compared with the results of ab initio calculations using a recently developed two-channel discrete momentum representation method. Good agreement between theory and experiment was found for large scattering angles and energies above the resonant region.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Computer Simulation
Electrons*
Energy Transfer*
Models, Chemical*
Models, Molecular*
Propane / chemistry*
Scattering, Radiation
Vibration

Substances

Propane