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The millimeter-wave spectrum of methoxyacetonitrile

Braakman, Rogier and Blake, Geoffrey A. (2010) The millimeter-wave spectrum of methoxyacetonitrile. Journal of Molecular Spectroscopy, 262 (2). pp. 93-99. ISSN 0022-2852.

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This paper is the second as part of a study to elucidate cyano group chemistry in the interstellar medium, wherein we present a characterization of the millimeter-wave spectrum of methoxyacetonitrile. Its structural isomer, 2-cyanoethanol was described in paper Braakman and Blake (submitted for publication) [1]. The rotational spectrum of methoxyacetonitrile shows the characteristics of a well-behaved asymmetric rigid-rotor. We assigned nearly 7400 transitions to 2 conformers and 2 excited states. All were fit to Watson A-reduced Hamiltonians, including only the effects of centrifugal distortion. The lowest energy states are fit close to experimental accuracy, with a gradual decrease in quality for higher energy states. No repulsive interactions are apparent. The measurements and predictions from the fits reported here are being used as a basis for observational studies of this species.

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Blake, Geoffrey A.0000-0003-0787-1610
Additional Information:© 2010 Elsevier Inc. Received 20 March 2010; revised 21 May 2010. Available online 8 June 2010. We wish to thank Dr. B. J. Drouin for the use of his mm-wave spectrometer at JPL in the initial attempts at acquiring data in this project. We also thank the reviewers for useful comments in improving the manuscript. This work was funded, in part, by grants from the NASA APRA and Exobiology programs.
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Subject Keywords:Rotational spectroscopy; Methoxyacetonitrile; Cyano-chemistry; Astrochemistry
Issue or Number:2
Record Number:CaltechAUTHORS:20100830-092521470
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:19699
Deposited By: Tony Diaz
Deposited On:01 Sep 2010 18:26
Last Modified:03 Oct 2019 02:00

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