Josie R. Glenn , J.E. Isert , Jacob D. Bethke , Gamil A. Guirgis , G.S. Grubbs II
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The microwave spectrum of the low energy conformers of 1-ethylsilacyclopentane
The microwave rotational spectrum of 1-ethylsilacyclopentane has been observed using chirped-pulse, Fourier transform microwave spectroscopy and has been reported for the first time. The lowest three energetic conformers were observed and fit to a Watson S semirigid Hamiltonian to within experimental accuracy. The quantum chemical calculations are all within ≈1% of the determined rotational constants, providing confidence that they are accurate representations of the experimental structure. Centrifugal distortion terms DJK and DK, although seemingly large, have been determined to be physically meaningful as no apparent evidence such as splittings in the spectrum or transition broadening was observed. A second moment analysis was undertaken and compared to similar silacyclopentanes, but it is not clear if this species follows previously determined trends.
期刊介绍:
The Journal of Molecular Spectroscopy presents experimental and theoretical articles on all subjects relevant to molecular spectroscopy and its modern applications. An international medium for the publication of some of the most significant research in the field, the Journal of Molecular Spectroscopy is an invaluable resource for astrophysicists, chemists, physicists, engineers, and others involved in molecular spectroscopy research and practice.