The rotational spectrum of 2-butynoic acid was measured by pulsed supersonic-jet Fourier transform microwave spectroscopy in the frequency range from 6 to 18 GHz. Rotational lines have been measured for the m = 0 and m = 1 torsional states and analyzed using the rho-axis-method. The features of the spectrum illustrate the pattern for an almost free internal rotation of the terminal methyl group that is characterized by a very low barrier V3 = 1.0090(4) cm1. The results are compared with the supporting ab initio calculations for this molecule.

Almost free methyl top internal rotation: rotational spectrum of 2-butynoic acid

EVANGELISTI, LUCA;FENG, GANG;MARIS, ASSIMO;MELANDRI, SONIA;CAMINATI, WALTHER
2011

Abstract

The rotational spectrum of 2-butynoic acid was measured by pulsed supersonic-jet Fourier transform microwave spectroscopy in the frequency range from 6 to 18 GHz. Rotational lines have been measured for the m = 0 and m = 1 torsional states and analyzed using the rho-axis-method. The features of the spectrum illustrate the pattern for an almost free internal rotation of the terminal methyl group that is characterized by a very low barrier V3 = 1.0090(4) cm1. The results are compared with the supporting ab initio calculations for this molecule.
V.Ilyushin; R.Rizzato; L.Evangelisti; G.Feng; A.Maris; S.Melandri; W. Caminati
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11585/109180
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