T. Kasai et al., ALIGNMENT AND ORIENTATION EFFECTS FOR THE INDIRECT IONIZATION OF CH3CL IN THE VERTICAL-BAR-111] ROTATIONAL STATE BY FAST-ELECTRON IMPACT, Journal of physical chemistry, 99(37), 1995, pp. 13597-13599
The steric opacity function, which includes alignment and orientation
effects, for the indirect ionization process of CH3Cl+ has been obtain
ed and analyzed from the study of fast electron impact of the oriented
CH3Cl molecule with the well-defined orientation of the \JKM]) = \111
] state. On the basis of a particle collision approximation for the pr
ojectile electron and the target molecular orbital electrons, both ori
entation and alignment dependences have been clarified by the ab initi
o calculations of the HOMO electron densities of the molecule. A good
correlation between the site-specific ionization cross section and the
cross section of the spatial distribution of 2e HOMO electrons of CH3
Cl was confirmed.