Abstract

The room-temperature rotational spectrum of phenylacetylene ( C 6 H 5 C CH ) , was studied at frequencies up to 340 GHz. Extensive new measurements, covering rotational transitions with quantum number values up to J = 140 and K a = 59 , allowed determination of precise spectroscopic constants for the ground state and for the lowest two excited vibrational states, v 24 = 1 and v 36 = 1 . The two excited states belong to the lowest B 1 and B 2 symmetry normal modes and their rotational transitions are very strongly perturbed by a-axis Coriolis resonance. A successful fit of the resonance is reported, resulting in ζ 24 , 36 a = 0.8403 ( 3 ) and Δ E = E 36 - E 24 = 15.38994 ( 2 ) cm - 1 , in good agreement with results of ab initio computations.

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