Assignment And Analysis Of The No2 In-plane Rock Band Of Nitromethane Recorded By High-resolution Ftir Synchrotron Spectroscopy

Dawadi, Mahesh B.

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https://hdl.handle.net/2142/51075 Copy

Description

Title

Assignment And Analysis Of The No2 In-plane Rock Band Of Nitromethane Recorded By High-resolution Ftir Synchrotron Spectroscopy

Author(s)

Dawadi, Mahesh B.

Contributor(s)

• Billinghurst, Brant E.
• Twagirayezu, Sylvestre
• Perry, David S.

Issue Date

2014-06-19

Keyword(s)

Large amplitude motions, internal rotation

Abstract

The high-resolution rotationally resolved Fourier Transform Far-infrared spectrum of the NO$_{2}$ in plane-rock band (440-510 cm$^{-1}$) of nitromethane (CH$_{3}$NO$_{2}$) has been recorded using the Far-Infrared Beamline at the Canadian Light Source, with a resolution of 0.00096 cm$^{-1}$. More than 1500 transitions lines have been assigned for {\it$m'$} = 0; {\it$K$}${_a}$$^{'}$ {$\leq$ $7$}; {\it$J$}$^{'}$ {$\leq$ $50$}; using an automated ground state combination difference program together with the traditional Loomis Wood approach\footnote{C.~F.~Neese., \textit{An Interactive Loomis-Wood Package, V2.0,} {\textbf{56$^{th}$}},OSU Interanational Symposium on Molecular Spectroscopy (2001).}. Transitions involving {\it$m'$} = 0; {\it$K$}${_a}$$^{'}$ {$\leq$$7$}; {\it$J'$} {$\leq$ $20$}; in the upper vibrational state are fit using the six-fold torsion-rotation program developed by Ilyushin et.al\footnote{V.~V.~Ilyushin, Z.~Kisiel, L.~Pszczolkowski, H.~Mader, and J.~T.~Hougen, \textit{M.~Mol.~Spectrosc.} \underline{\textbf{259}},~26, (2010).}. The torsion-rotation energy pattern in the lowest torsional state ( {\it$m'$} = 0) of the upper vibrational state is similar to that of the vibrational ground state.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/51075

DOI

https://doi.org/10.15278/isms.2014.RJ02

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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