Conformation and barrier to internal rotation of 3-methyl-2-cyclopenten-1-one by microwave spectroscopy
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Add time:09/29/2019 Source:sciencedirect.com
The microwave spectrum of 3-methyl-2-cyclopenten-1-one has been recorded from 18.0 to 26.5 GHz. Both a-type and c-type R-branch transitions in the ground state and the three vibrationally excited states of the ring-bending mode have been assigned. The ground state rotational constants are determined to be A = 5799.78 ± 0.23, B = 2028.79 ± 0.02, and C = 1546.77 ± 0.01 MHz. These data are consistent with a planar heavy-atom skeleton. From an analysis of the internal rotational splittings in the first methyl torsional state, the threefold barrier for the methyl group has been determined to be 1.71 ± 0.09 kcal mol−1.
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