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Title:CP-FTMW SPECTROSCOPY OF 2-CYANOACETIC ACID
Author(s):Johnson, Erika
Contributor(s):Alonso, José L.; Mata, Santiago; Kolesniková, Lucie; León, Iker; Shipman, Steven
Subject(s):Clusters/Complexes
Abstract:2-Cyanoacetic acid (m.p. 67-73 $^{\circ}$C), a molecule with astrochemical significance and structural similarities to glycine\footnote{I. D. Reva, S. G. Stepanian, L. Adamowicz and R. Fausto, J. Phys. Chem A 2003 107, 6351-6359} has been transferred into the gas phase by heating and supersonic expansion. Possible conformational relaxation paths were explored by using different buffer gases such as neon, argon, and helium. Rotational constants were found using chirped-pulse Fourier transform microwave spectroscopy (CP-FTMW). 2-Cyanoacetic acid possesses one 14N nucleus with a nuclear quadrupole moment, giving rise to a complex hyperfine structure. To assist with spectral fitting, Autofit\footnote{N. A. Seifert, I. A. Finneran, C. Perez, D. P. Zaleski, J. L. Neill, A. L. Steber, R. D. Suenram, A. Lesarri, S. T. Shipman, and B. H. Pate J. Mol. Spec. 2015 312, 12-21} was used. One stable conformer of the monomer and its complex with a water molecule have been identified on the basis of the experimental rotational constants in conjunction with DFT and \textit{ab initio} predictions.
Issue Date:06/21/18
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/100713
DOI:10.15278/isms.2018.RK02
Other Identifier(s):RK02
Date Available in IDEALS:2018-08-17
2018-12-12


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