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Title:Millimeter-wave Spectra Of 5-methyl Hydantoin In Its Vibrationally Excited States
Author(s):Ozeki, Hiroyuki
Contributor(s):Watanabe, Soichiro; Kobayashi, Kaori; Awadu, Minami
Abstract:Pure rotational spectrum of 5-methyl hydantoin (5-methyl-imidazolidine-4-one, \chem{C_4H_6N_2O_2}), known as a direct precursor of the simplest chiral amino acid Alanine, in its vibrationally excited states were measured in the frequency region of 90-180 GHz. So far, more than 500 spectral lines were recorded, and have been found to be attributed to 4 vibrational states. Guided with the results of density functional theory calculations as well as spectral intensities relative to that of the ground vibrational state, these 4 states can be assigned to fundamental bands and/or combination of these bands whose vibrational energies are considered to be less than 200 \wn. We also found that transition frequencies for one vibrational excited state can be explained within microwave spectroscopic precision by including the same set of centrifugal distortion constants as those for the ground vibrational sate. While the other spectral line frequencies showed sizeable deviations despite of inclusion of higher-order (up to the 10th order) centrifugal distortion constants. We are currently trying to conduct a perturbation analysis for these data.
Issue Date:2021-06-23
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Date Available in IDEALS:2021-09-24

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