High-resolution spectroscopic investigation of the ~B2A1-- ~X2A1 transitions of CaCH3 and SrCH3
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Updated: Aug 7, 2026

High Pressure Single Crystal Diffraction at PX^2
Published on: January 16, 2017
P M Sheridan1, M J Dick, J-G Wang
1Departments of Chemistry and Physics, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada.
Abstract:
High-resolution spectra of the ~B(2)A(1)-- ~X(2)A(1) transitions of CaCH(3) and SrCH(3) have been recorded in a molecular jet/laser ablation source using laser excitation spectroscopy. Transitions arising from the K = 0 and 1 sub-bands have been observed for both molecules. An analysis of the data using a (2)A(1) symmetric top Hamiltonian has determined rotational and spin-rotation constants for the ~B(2)A(1) state of each molecule. From the rotational constants, structures have been estimated for both CaCH(3) and SrCH(3). The spin-rotation constant, epsilon(bc) = (epsilon(bb) + epsilon(cc))/2, in the ~B(2)A(1) state for both molecules is in reasonable agreement with the value calculated using the pure precession approximation. For CaCH(3), the K' = 1 levels of the ~B(2)A(1) state exhibit a perturbation that interchanges the energy ordering of the spin-rotation components.
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