Study of RgS− and RgS (Rg = Ne, Ar, and Kr) via slow photoelectron velocity-map imaging spectroscopy and ab initio calculations
Abstract
High-resolution photoelectron spectra of RgS− (Rg = Ne, Ar, and Kr) were obtained using slow electron velocity-map imaging (SEVI). The SEVI spectra reveal well-resolved vibrational transitions between multiple spin-orbit states of RgS− and RgS, both of which are open-shell species. Detailed assignments are made by comparison with theoretical simulations based on high level ab initio calculations and a atoms-in-molecule model that accounts for spin-orbit coupling in the anion and neutral. Several RgS− and RgS vibrational frequencies and excited-state term energies are accurately determined from the analysis of the experimental spectra and are found to be in excellent agreement with the calculated values.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jul 08, 2011
- Source ID
- 10.1063/1.3605595
Entities
People
- Daniel Neumark
- Etienne Garand
Organizations
- Air Force Office of Scientific Research
- Lawrence Berkeley National Laboratory
- University of California