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

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

The journal of physical chemistry. A (2011-03-23)
Biagio Velino, Laura B Favero, Assimo Maris, Walther Caminati
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.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
(±)-1,3-Butanediol, ReagentPlus®, 99.5%
Sigma-Aldrich
(±)-1,3-Butanediol, anhydrous, ≥99%
Sigma-Aldrich
(±)-1,3-Butanediol, SAJ first grade, ≥98.0%
Sigma-Aldrich
(R)-(−)-1,3-Butanediol, 95%