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Title:Ir Spectroscopy Of Selected Atmospheric Monoterpenes And Oxydation Products
Author(s):Aviles Moreno, Juan-Ramon
Contributor(s):Roy, P.; Pirali, Olivier; Georges, Robert; Asselin, Pierre; Soulard, Pascale; Goubet, Manuel; Huet, T.R.
Subject(s):Atmospheric science
Abstract:Several monoterpenes are biogenic volatile organic compounds (BVOCS) present in the atmosphere. They can react with \chem{OH}, \chem{O_3}, \chem{NO_x}, etc. to give rise to several oxydation and degradation products. We have studied the gas phase spectroscopy of monocyclic (limonene, $\gamma$-terpinene) and bicyclic ($\alpha$-pinene, $\beta$-pinene) atmospheric monoterpenes (\chem{C_{10}H_{16}}), as well as two \chem{C_{10}H_{14}O} oxydation products (perillaldehyde, carvone). In the first step of this work, theoretical calculations and microwave spectroscopy were used in order to evidence the most stable conformers and their relative energies. \footnote{J. R. Aviles Moreno, F. Partal Urena, J. J. Lopez Gonzalez and T. R. Huet, {\em C.\ Phys.\ Lett.}~{\bf 473} (2009) 17} \footnote{J. R. Aviles Moreno, T. R. Huet, F. Partal Urena, J. J. Lopez Gonzalez, {\em Struc.\ Chem.}~{\bf 24} (2013) 1163} \footnote{J. R. Aviles Moreno, E. Neeman, T. R. Huet, manuscript in preparation} In the present communication we will present the results of the IR study. Infrared spectra have been recorded on the FTIR spectrometer of the AILES beamline at synchrotron SOLEIL, using the Jet-AILES molecular beam and a long path cell. Special attention was given to the 700--1300 \wn~atmospheric window, to the \chem{CH} vibration region, and to the "finger print" FIR region. Quantum calculations have been performed at different levels of theory (DFT, ab initio). In particular anharmonic force fields were obtained in order to model the vibrational structures. Support from the French Laboratoire d'Excellence CaPPA (Chemical and Physical Properties of the Atmosphere) through contract ANR-10-LABX-0005 of the Programme d'Investissements d'Avenir is acknowledged. The experiment on the AILES beam-line at synchrotron SOLEIL was performed under project number 20130192.
Issue Date:2014-06-17
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Aviles Moreno, J.; Roy, P.; Pirali, O.; Georges, R.; Asselin, P.; Soulard, P.; Goubet, M.; Huet, T.R. IR SPECTROSCOPY OF SELECTED ATMOSPHERIC MONOTERPENES AND OXYDATION PRODUCTS. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.TI02
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/50915
DOI:10.15278/isms.2014.TI02
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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