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

Identifier

DOI: 10.1103/PhysRevA.80.032513

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