Joint experimental and theoretical study of vibrationally inelastic electron scattering on propane.
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.
Popović
Duska B
DB
Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO 80309-0215, USA.
David
Donald E
DE
Michl
Josef
J
Curík
Roman
R
Cársky
Petr
P
D003198:Computer Simulation; D004583:Electrons; D004735:Energy Transfer; D008956:Models, Chemical; D008958:Models, Molecular; D011407:Propane / Q000737:chemistry*; D012542:Scattering, Radiation; D014732:Vibration
D011407:Propane