High-resolution stimulated raman spectroscopy and analysis of V2 and V3 bands of of 13C2H4 using the D2H top data system

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https://hdl.handle.net/2142/91077

Author(s)

Boudon, Vincent

Contributor(s)

Issue Date

2016-06-21

Keyword(s)

Vibrational structure/frequencies

Abstract

"High resolution stimulated Raman spectra of $^{13}$C$_2$H$_4$ in the regions of the $\nu_2$ and $\nu_3$ Raman active modes have been recorded at at two temperatures (145 and 296 K) based on the quasi continuous-wave (cw) stimulated Raman spectrometer at Instituto de Estructura de la Materia (CSIC) in Madrid. A tensorial formalism adapted to $X_{2}Y_{4}$ planar asymmetric tops with $D_{2h}$ symmetry has been developed in Dijon\footnote{Raballand W, Rotger M, Boudon V, Lo{\""e}te M. J Mol Spectrosc 2003"
217:239--48.} and a program suite called $D_{2h}TDS$ (now part of the XTDS/SPVIEW spectroscopic software\footnote{Wenger Ch, Boudon V, Rotger M, Champion JP, Sanzharov M. J Mol Spectrosc 2008
251:102--13.} was proposed to calculate their high-resolution spectra. The effective Hamiltonian operator, involving a polyad structure, and transition moment (dipole moment and polarizability) operators can be systematically expanded to carry out global analyses of many rovibrational bands. A total of 103 and 51 lines corresponding to $\nu_2$ and $\nu_3$ Raman active modes have been assigned and fitted in frequency with a global root mean square deviation of $ 0.54 \times 10^{-3}$ cm$^{-1}$ and $ 0.36 \times 10^{-3}$ cm$^{-1}$, respectively. The figures below shows the stimulated Raman spectrum of the $\nu_2$ and $\nu_3$ bands of $^{13}$C$_2$H$_4$, compared to the simulation at 296 K.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

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http://hdl.handle.net/2142/91077

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