The 000 band of the à 2E–X̃ 2A1 transition of CaCH3 has been rotationally analyzed at Doppler-limited resolution by laser excitation spectroscopy. Observation of an internal perturbation in the excited state permitted simultaneous determination of both A′ and A″. The ground-state molecular structure was found to be RCa–C=2.349(13) Å and θH–C–H=105.6(28)° with RC–H fixed at 1.100(20) Å.
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Brazier et al. (1989) studied this question.
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