Physical Review A
First page number:
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.
Atomic orbitals; Electron configuration; Electronic excitation; Molecular dynamics; Molecular structure
Analytical Chemistry | Atomic, Molecular and Optical Physics | Biological and Chemical Physics | Physical Chemistry
Copyright American Physical Society, used with permission
Stolte, W. C.,
Lindle, D. W.,
Experimental and theoretical investigation of molecular field effects by polarization-resolved resonant inelastic x-ray scattering.
Physical Review A, 80(032513),