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Publication Citation: Microwave Spectrum of 1,2-Propanediol

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Author(s): Francis J. Lovas; David F. Plusquellic; Brooks Pate; Justin L. Neill; Matt T. Muckle; Anthony J. Remijan;
Title: Microwave Spectrum of 1,2-Propanediol
Published: September 01, 2009
Abstract: The microwave spectrum of the sugar alcohol 1,2-propanediol (CH3CHOHCH2OH) has been measured over the frequency range 6.5 GHz to 25.0 GHz with several pulsed-beam Fourier-transform microwave spectrometers. Seven conformers of 1,2-propanediol have been assigned and ab initio electronic structure calculations of the ten lowest energy forms have been calculated. Stark effect measurements were carried out on several of the lowest energy conformers to provide accurate determinations of the dipole moment components and assist in conformer assignment.
Citation: Journal of Molecular Spectroscopy
Volume: 257
Issue: 1
Pages: pp. 82 - 93
Keywords: Ab Initio Calculation, Dipole Moment, Microwave Spectrum, Propanediol, Rotational Spectrum, Structure
Research Areas: Spectroscopy, Molecular Physics, Chemistry
PDF version: PDF Document Click here to retrieve PDF version of paper (532KB)