Document Type
Article
Publication Date
9-2009
Publication Title
Physical Review A
Volume
80
Issue
032513
First page number:
12
Abstract
We present a combined theoretical and experimental study of molecular field effects on molecular core levels. Polarization-dependent resonant inelastic x-ray scattering is observed experimentally after resonant K-shell excitation of CF3Cl and HCl. We explain the linear dichroism observed in spin-orbit level intensities as due to molecular field effects, including singlet-triplet exchange, and interpret this behavior in terms of population differences in the 2px,y,z inner-shell orbitals. We investigate theoretically the different factors that can affect the electronic populations and the dynamical R dependence of the spin-orbit ratio. Finally, the results obtained are used to interpret the L-shell absorption spectra of the two molecules.
Keywords
Atomic orbitals; Electron configuration; Electronic excitation; Molecular dynamics; Molecular structure
Disciplines
Analytical Chemistry | Atomic, Molecular and Optical Physics | Biological and Chemical Physics | Physical Chemistry
Language
English
Permissions
Copyright American Physical Society, used with permission
Repository Citation
Carniato, S.,
Guillemin, R.,
Stolte, W. C.,
Journel, L.,
Taieb, R.,
Lindle, D. W.,
Simon, M.
(2009).
Experimental and Theoretical Investigation of Molecular Field Effects by Polarization-resolved Resonant Inelastic X-ray Scattering.
Physical Review A, 80(032513),
12.
https://digitalscholarship.unlv.edu/chem_fac_articles/12
Included in
Analytical Chemistry Commons, Atomic, Molecular and Optical Physics Commons, Biological and Chemical Physics Commons, Physical Chemistry Commons