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A global study of the conformers of 1,2-propanediol and new vibrationally excited states

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Arenas,  Benjamin
International Max Planck Research School for Ultrafast Imaging & Structural Dynamics (IMPRS-UFAST), Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

Gruet,  Sébastien
Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
The Hamburg Centre for Ultrafast Imaging, Universität Hamburg;

Steber,  Amanda L.
Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

Schnell,  Melanie
Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

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Citation

Arenas, B., Gruet, S., Steber, A. L., & Schnell, M. (2017). A global study of the conformers of 1,2-propanediol and new vibrationally excited states. Journal of Molecular Spectroscopy. doi:10.1016/j.jms.2017.02.017.


Cite as: http://hdl.handle.net/11858/00-001M-0000-002D-7DCF-0
Abstract
The astrochemically relevant molecule 1,2-propanediol was investigated at room temperature between 75 and 110 GHz with the aims of providing accurate global rotational constants for its numerous conformers and vibrationally excited states. This was performed with our segmented chirped-pulse millimeter-wave spectrometer. In the spectrum, six previously observed conformers were assigned and treated in global fits, and three vibrationally excited states of the molecule were identified and assigned. The provided transition frequencies of the ground states and vibrationally excited states will aid in the astronomical detection of 1,2-propanediol, specifically in the Atacama Large Millimeter/submillimeter Array Band 3 regime as it overlaps with the frequency range of our spectrometer.