The microwave spectrum and structure of the CH[sub 3]OH-CO dimer

Journal Article · Thu Sep 01 04:00:00 EDT 1994 · Journal of Molecular Spectroscopy; (United States)

DOI:https://doi.org/10.1006/jmsp.1994.1225· OSTI ID:6902561

Lovas, F J; Belov, S P; Tretyakov, M Yu; Ortigoso, J; Suenram, R D ^[1]

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1. National Inst. of Standards and Technology, Gaithersburg, MD (United States). Molecular Physics Division

The reaction mechanism involved in the conversion of methanol to gasoline (MTG) over a zeolite catalyst (MTG process) has generated considerable interest, although much controversy still remains over the particular steps which lead to the formation of the first C-C bond. The rotational spectrum of CH[sub 3]OH-CO has been observed in the region 7--18 GHz with a pulsed-beam Fabry-Perot cavity Fourier-transform microwave spectrometer. In order to obtain detailed structural information the spectra of CH[sub 3]OH, CH[sub 3]OD, CD[sub 3]OH, and CD[sub 3]OD combined with CO and [sup 13]CO were examined. Each of the isotopic species studied exhibits two states, which are interpreted as A and E symmetry states arising from internal rotation of the methyl group. The E-state assignments were verified by observing their first-order Stark effect. The structure of the complex is a bent hydrogen bond of the carbon atom of CO at a distance of 2.41 [angstrom] from the hydroxyl hydrogen of methanol and planar heavy atoms. The effective barrier to internal rotation for CH[sub 3]OH-CO, V[sub 3] = 183.0 cm[sup [minus]1], is one-half of the value for the methanol monomer.

• OSTI ID: 6902561
• Journal Information: Journal of Molecular Spectroscopy; (United States), Journal Name: Journal of Molecular Spectroscopy; (United States) Vol. 167:1; ISSN JMOSA3; ISSN 0022-2852
• Country of Publication: United States
• Language: English

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