Adducts of alcohols with ethers: the rotational spectrum of isopropanol-dimethyl ether

J Phys Chem A. 2011 Sep 1;115(34):9510-3. doi: 10.1021/jp112226b. Epub 2011 Mar 9.

Abstract

The rotational spectra of three isotopologues of the isopropanol-dimethyl ether molecular complex have been measured with pulsed jet Fourier transform microwave spectroscopy. In the complex, isopropanol acts as a proton donor and takes a gauche conformation. The H → D isotopic substitution of the hydroxylic hydrogen participating in the O-H···O hydrogen bond produces an increase of the B and C rotational constants, according to the shrinkage of the O···O distance of about 7 mÅ, underlying and sizing the associated Ubbelohde effect.