Theoretical studies of CB2 absorption spectra of SO 2 isotopomers
Abstract
We investigate the isotopic variation of the C∼-state absorption spectrum of sulfur dioxide (SO 2). Low-lying vibrational energy levels of four isotopomers were obtained using the Lanczos method on a recent ab initio potential energy surface of the C∼-state of SO 2. The corresponding absorption spectra up to 185 nm were determined using a Chebyshev method with ab initio transition dipole functions. Implications for the recently observed mass-independent isotope effects are discussed.
- Publication:
-
Chemical Physics Letters
- Pub Date:
- May 2007
- DOI:
- 10.1016/j.cplett.2007.03.103
- Bibcode:
- 2007CPL...439..280R