1. High-resolution laser excitation spectroscopy of the à 2E-X 2A1 transition of SrCH3.
- Author
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Dick, M. J., Sheridan, P. M., Wang, J.-G., and Bernath, P. F.
- Subjects
HIGH resolution spectroscopy ,SPECTRUM analysis ,HYDROGEN bonding ,RADIATIVE transitions ,MOLECULAR dynamics ,HAMILTONIAN systems - Abstract
High-resolution laser excitation spectroscopy has been used to record the Ã
2 E-X2 A1 electronic transition of SrCH3 in a laser ablation/molecular jet source. Transitions arising from the K′ =1←K″ =0, K′ =0←K″ =1, and K′ =2←K″ =1 subbands have been observed and assigned. The data were modeled with2 E and2 A1 symmetric top Hamiltonian matrices in a Hund’s case (a) basis, using a least squares fitting program. Rotational and fine structure parameters for the Ã2 E state were determined. A comparison of the spin-orbit energy separation in the Ã2 E state to other strontium containing free radicals showed that the Jahn-Teller effect is negligible. The spin-rotation constants for the Ã2 E state were calculated using the pure precession model and were found to be in good agreement with the experimentally determined parameters. These calculations suggest that the Ã2 E state of SrCH3 is not entirely of p orbital character. The rotational constants were used to estimate the structural parameters of SrCH3 in the Ã2 E state. The strontium-carbon bond length was found to decrease by ∼0.006 Å, and the hydrogen-carbon-hydrogen bond angle opened by ∼0.8° compared to the X2 A1 state, similar to the geometry changes observed for CaCH3 . [ABSTRACT FROM AUTHOR]- Published
- 2006
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