title: Hydrogen bond competition in the ethanol-methanol dimer.
abstract: Previous theoretical work on the ethanol-methanol dimer has been inconclusive in predicting the preferred hydrogen bond donor/acceptor configuration. Here, we report the microwave spectrum of the dimer using a chirped pulse Fourier transform microwave spectrometer from 8-18 GHz. In an argon-backed expansion, 50 transitions have been assigned to a trans-ethanol-acceptor/methanol-donor structure that is likely stabilized by a secondary weak C-HO hydrogen bond. A higher energy conformer was observed in a helium-backed expansion and tentatively assigned to a gauche-ethanol-acceptor/methanol-donor structure. No ethanol-donor/methanol-acceptor dimers have been found, suggesting such interactions are energetically disfavored. A preliminary analysis of the A-E splitting due to the internal rotation of the methanol methyl group in the ground state species is also presented. We find evidence of the Ubbelohde effect in the measured A-E splittings of three deuterated isotopologues and the normal species of this conformer.
authors.affiliation: Division of Chemistry and Chemical Engineering, California Institute of Technology, 1200 E California Blvd., Pasadena, CA 91125, USA.
authors.forename: Ian A
authors.initials: IA
authors.lastname: Finneran
authors.affiliation: Division of Chemistry and Chemical Engineering, California Institute of Technology, 1200 E California Blvd., Pasadena, CA 91125, USA.
authors.forename: P Brandon
authors.initials: PB
authors.lastname: Carroll
authors.affiliation: Division of Chemistry and Chemical Engineering, California Institute of Technology, 1200 E California Blvd., Pasadena, CA 91125, USA.
authors.forename: Griffin J
authors.initials: GJ
authors.lastname: Mead
authors.affiliation: Division of Chemistry and Chemical Engineering, California Institute of Technology, 1200 E California Blvd., Pasadena, CA 91125, USA and Division of Geological and Planetary Sciences, California Institute of Technology, 1200 E California Blvd., Pasadena, CA 91125, USA. gab@gps.caltech.edu.
authors.forename: Geoffrey A
authors.initials: GA
authors.lastname: Blake