Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 2011-09-01

Conformational equilibria in diols: the rotational spectrum of chiral 1,3-butandiol.

Biagio Velino, Laura B Favero, Assimo Maris, Walther Caminati

Index: J. Phys. Chem. A 115(34) , 9585-9, (2011)

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Abstract

The rotational spectra of five conformers of 1,3-butandiol have been measured by pulsed jet Fourier transform microwave spectroscopy. All of them are stabilized by an internal hydrogen bond and all of them have a GG' or a G'G arrangement of the two hydroxyl oxygens, which means that both oxygen atoms are on the same side with respect to the C1C2C3 plane. Apart from the spectroscopic constants, the relative abundances in the supersonic expansion are provided.© 2011 American Chemical Society