Isotopic Dependence of the Hydrogen-Transfer-Triggered Methyl-Group Rotation in Deuterated 5-Methyltropolone.
| Autor: | Ilyushin VV; Institute of Radio Astronomy of NASU, Mystetstv 4, 61002 Kharkov, Ukraine.; Quantum Radiophysics Department of V.N. Karazin Kharkiv National University, Svobody Square 4, 61022, Kharkov, Ukraine., Johnson AM; Department of Chemistry and Biochemistry, College of Charleston, Charleston, SC 29424, USA., Hohl J; Department of Chemistry and Biochemistry, College of Charleston, Charleston, SC 29424, USA., Cloessner EA; Department of Chemistry and Biochemistry, College of Charleston, Charleston, SC 29424, USA., Lovas FJ; Sensor Science Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8441, USA., Lavrich RJ; Department of Chemistry and Biochemistry, College of Charleston, Charleston, SC 29424, USA. |
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| Jazyk: | angličtina |
| Zdroj: | Journal of molecular spectroscopy [J Mol Spectrosc] 2018; Vol. 343. |
| DOI: | 10.1016/j.jms.2017.09.004 |
| Abstrakt: | We present here the first experimental study of the microwave spectrum of deuterated 5-methyltropolone, a molecule which exhibits two large-amplitude motions: an intramolecular hydrogen transfer (deuterium transfer in the current case of deuterated 5-methyltropolone) and a methyl torsion. The main goal of this study was to get information on the isotopic dependence of the main tunneling parameters of 5-methyltropolone in the framework of the two dimensional tunneling formalism, which previously has shown some counterintuitive results for isotopic dependence of tunneling parameters in 2-methylmalonaldehyde. Measurements were carried out by Fourier-transform microwave spectroscopy in the 9 GHz to 26 GHz frequency range. Theoretical analysis was carried out using a tunneling-rotational Hamiltonian based on a G |
| Databáze: | MEDLINE |
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