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Title:First Observation And Analysis Of Ocs−c4h2 Dimer And (ocs)2−c4h2 Trimer
Author(s):Sheybani-Deloui, S.
Contributor(s):Moazzen-Ahmadi, Nasser; McKellar, Bob; Norooz Oliaee, Jalal; Yousefi, Mahdi
Abstract:Infrared spectrum of a slipped near parallel isomer of \chem{OCS-C_4H_2} was observed in the region of \nub{1} fundamental band of \chem{OCS} monomer ($\mathtt{\sim}$2062 \wn) using a diode laser to probe the supersonic slit jet expansion. The \textit{ab initio} calculations at MP2 level indicate that the observed structure is the lowest energy isomer. The \chem{OCS-C_4H_2} band is composed of hybrid a/b-type transitions and was simulated by a conventional asymmetric top Hamiltonian with rotational constants of A=2892.15(10) MHz, B=1244.178(84) MHz, and C=868.692(52) MHz. The spectrum shows a relatively large red-shift of~$\mathtt{\sim}$6~\wn with respect to the \chem{OCS} monomer band origin. Also, one band for \chem{(OCS)_2-C_4H_2} trimer is observed around 2065 \wn. This band is blue-shifted by 3 \wn relative to the \nub{1} fundamental band of \chem{OCS} monomer. Our analysis shows that this trimer has \textit{C}$_{2}$ symmetry with rotational constants of A= 855.854(61) MHz, B=733.15(11) MHz, and C=610.10(38)~MHz and c-type transitions. This structure is comparable with that of \chem{(OCS)_2-C_2H_2} where the \chem{OCS} dimer unit within the trimer is non-polar.\footnote{Mojtaba Rezaei, A. R. W. McKellar, and N. Moazzen-Ahmadi, J. Phys. Chem. A, \textbf{115}, 10416 (2011).} In addition to the normal isotoplogues, \chem{OCS-C_4D_2} and \chem{(OCS)_2-C_4D_2} were observed. In this talk, we discuss our observations and analysis on \chem{OCS-C_4H_2} dimer and \chem{(OCS)_2-C_4H_2} trimer.
Issue Date:2014-06-20
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Sheybani-Deloui, S.; Moazzen-Ahmadi, N.; McKellar, B.; Norooz Oliaee, J.; Yousefi, M. FIRST OBSERVATION AND ANALYSIS OF OCS−C4H2 DIMER AND (OCS)2−C4H2 TRIMER. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.FB09
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License.
Date Available in IDEALS:2014-09-17

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