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 / V.Ilyushin; R.Rizzato; L.Evangelisti; G.Feng; A.Maris; S.Melandri; W. Caminati. - In: JOURNAL OF MOLECULAR SPECTROSCOPY. - ISSN 0022-2852. - STAMPA. - 267:(2011), pp. 186-190. [10.1016/j.jms.2011.03.028]
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
