DEUTERATED-ACETYLENE DIMERS: THE TUNNELING MOTIONS OF (DCCD)$_{2}$, (DCCH)$_{2}$, DCCD-DCCH, DCCH-DCCD, HCCH-DCCD, AND HCCH-DCCH FROM THEIR MICROWAVE SPECTRA

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1991

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Ohio State University

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The rotational spectra of deuterated acetylene dimers, which were produced in a molecular beam at 1 K using 1% mixtures of HCCH, DCCH, and DCCD in Ar, were observed with a pulsed beam Fourier transform microwave spectrometer. All types of the deuterated acetylene dimers in which a D atom participates in the hydrogen-bond were observed, i.e. (DCCD)2,(DCCH)2, DCCD-DCCH, DCCH-DCCD, HCCH-DCCD, and HCCH-DCCH. However, we could not detect any form of the mixed H/D dimers in which the hydrogen atom is located in the hydrogen-bond. From the interconversion tunneling spectra, the tunneling potential of (DCCD)2 was analyzed by using a one-coordinate model (Fraser et al.1) and the potential depth was determined to be V4=35.577 cm−1, which is 2.371cm−1 deeper than that of (HCCH)2 studied by Fraser et al.1 Also we applied a modified version of the one-coordinate model was also applied to the other deuterated acetylene dimers. A discussion of the observed spectra and tunneling model will be presented.

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1G. T. Fraser, R. D. Suenram, F. J. Lovas, A. S. Pine, J. T. Hougen, W. J. Lafferty, and J. S. Muenter, J. Chem. Phys. 89, 6028 (1988).""


Author Institution: Seinan Gakuin University; Molecular Physics Division, National Institute of Standards and Technology

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