First Observation And Analysis Of Ocs−c4h2 Dimer And (ocs)2−c4h2 Trimer

Sheybani-Deloui, S.

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https://hdl.handle.net/2142/50770 Copy

Description

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

Issue Date

2014-06-20

Keyword(s)

Clusters/Complexes

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.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/50770

DOI

https://doi.org/10.15278/isms.2014.FB09

Copyright and License Information

Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

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