Perturbations in the vibration-rotation-torsion energy levels of an ethane molecule exhibiting internal rotation splittings
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2020, Journal of Molecular StructureCitation Excerpt :In a number of publications discussing various topics [23–25] his profound theoretical knowledge continues to inspire younger scientists, who did not have the opportunity to meet him in person. Not only that he applied PI group theory in the investigations of many molecular examples [26–39]. He was also involved in the development of many fitting programs, dealing with quite a variety of LAMs and their signatures in the resulting molecular spectra with their increasing complexity seeking the benefit of high resolution.
Coriolis Interactions in benzene-water and related molecular complexes
2020, Journal of Molecular SpectroscopyAnomalous torsional tripling in the ν<inf>9</inf> and ν<inf>10</inf> CH<inf>3</inf>-deformation modes of ethane <sup>12</sup>CH<inf>3</inf><sup>13</sup>CH<inf>3</inf>
2017, Journal of Molecular SpectroscopyCitation Excerpt :The correlation of the symmetry species of these two groups is shown in Fig. 3 of Ref. [3]. It is worth to point out that for ethane-like molecules vibration-torsion symmetries are well defined, but pure vibrational symmetries of degenerate modes are not, see for instance Hougen [11], and Ref. [3] for G18 molecules. However, it can be useful to refer to the symmetries of the adopted basis deformation coordinates, whose choice is a matter of convenience and depends on the coupling of the deformations of the two molecular halves.
Infrared spectroscopy of the glyoxal radical cation: The charge dependence of internal rotation
2016, Chemical Physics LettersCitation Excerpt :One example is ethane, where rotation about the CC bond transforms two identical structures into each other. The internal rotation leads to perturbations and splittings in the vibration–rotation–torsion energy levels [2]. These effects are present not only for the rotation of covalent bonds, but have also been shown for molecular complexes, e.g., benzene:water [3] and ammonium cation:water [4].
An intensity study of the torsional bands of ethane at 35μm
2015, Journal of Quantitative Spectroscopy and Radiative Transfer
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Institute for Molecular Science Invited Foreign Scholar.