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The i.r., Raman and microwave spectra of 1-butene-3-yne (vinylacetylene) and 1-butene-3-yne-4d

1980; Pergamon Press; Volume: 36; Issue: 11 Linguagem: Inglês

10.1016/0584-8539(80)80177-2

1873-3824

E. Tørneng, Claus J. Nielsen, P. Klæboe, Henning Hopf, Hanno Priebe,

Advanced Chemical Physics Studies

The i.r. spectra of 1-butene-3-yne and 1-butene-3-yne-4d in the vapour phase and as crystalline solids at 90 K were recorded in the region 5000-100 cm−1. Raman spectra, including semiquantitative polarization data, of the neat liquid and of the solid were obtained at 90 K. Microwave spectra of the compounds were recorded in the region 8–40 GHz at ambient temperature. Rotational transitions of the vibrational ground state and of the two lowest vibrational excited states v13(a′) and v18(a′') were measured. The fundamental frequencies of both compounds were assigned in excellent agreement with the results of normal coordinate calculations. Rotational fine structure was observed for several bands and interpreted as the Q-sub-branches of the perpendicular bands (in the symmetrical top approximation). For six bands the Q-sub-branches were assigned to the proper K-values. The Coriolis coupling constant ξa13,18 was derived from the i.r. and from the microwave spectra.