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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.
Subject(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.
Issue Date:2014-06-19
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Dawadi, M.B.; Billinghurst, B.E.; Twagirayezu, S.; Perry, D.S. ASSIGNMENT AND ANALYSIS OF THE NO2 IN-PLANE ROCK BAND OF NITROMETHANE RECORDED BY HIGH-RESOLUTION FTIR SYNCHROTRON SPECTROSCOPY. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.RJ02
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/51075
DOI:10.15278/isms.2014.RJ02
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/
Date Available in IDEALS:2014-09-17
2015-04-14


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