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- W1996806849 abstract "The torsional Raman spectra of CH2DCH2D, CHD2CHD2, and CH2DCHD2, recorded with an improved conventional Raman spectrometer, are interpreted here in the frame of an exact rotational–torsional Hamiltonian. The kinetic and potential operators of this Hamiltonian are discussed in detail, showing that the term responsible for the existence of two distinguishable conformers is of kinetic nature. For CH2DCH2D and CHD2CHD2 it is shown how to separate the rotational and the torsional motions by means of an appropriate choice of the molecular axis system. The wave numbers and intensities of both torsional Raman spectra are satisfactorily reproduced within the limits of the experiment with the following effective potential parameters: CH2DCH2D, V3=1002 cm−1, V6=6.0 cm−1; CHD2CHD2, V3=995 cm−1, V6=7.3 cm−1. For CH2DCHD2, only partially tractable in the present approach, an approximate estimate of V3=995 cm−1 has been obtained. Besides the quantitative interpretation of the torsional spectra, a discussion of the main facts of the conformational problem in connection to the spectroscopic observation is presented. In particular, the induced conformational transitions described here may contribute to the understanding of the elementary photoisomerization processes in molecules of the type AX2Y–AX2Y." @default.
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- W1996806849 title "The conformational problem studied through the torsional Raman spectra of CH<sub>2</sub>DCH<sub>2</sub>D, CHD<sub>2</sub>CHD<sub>2</sub>, and CH<sub>2</sub>DCHD<sub>2</sub>" @default.
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- W1996806849 doi "https://doi.org/10.1063/1.465326" @default.
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