THE MICROWAVE ROTATIONAL SPECTRUM OF THE Ne-HCCCN VAN DER WAALS COMPLEX

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2002

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Ohio State University

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We report the results of the first rotational spectroscopic investigation of the Ne-HCCCN van der Waals complex. The measurements were carried out in the frequency range from 4 to 26 GHz using a molecular beam Fourier transform microwave spectrometer. HCCCN was prepared from ethyl propiolate in the usual $way,^{a}$ and for our investigation we used a dilution of 0.2% ethynyl cyanide in neon at a total pressure of 3 to 4 atm. Strong b-type and weaker a-type transitions we observed. The spectra are consistent with a (vibrationally averaged) T-shaped geometry of the complex. The $^{14}N$ nuclear quadrupole hyperfine components of the rotational transitions were resolved. The spectral analyses yielded rotational, centrifugal distortion, and $^{14}N$ nuclear quadrupole coupling constants which were used to derive structural parameters and information about the large amplitude intermolecular motion.

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$^{a}$C. Moureau and J. C. Bongrand, Bull. Chem. Soc. 5, 846 (1909).
Author Institution: Department of Chemistry, University of Alberta

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