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.File in questo prodotto:
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