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Asselin P, Bruckhuisen J, Roucou A, et al. Jet-cooled rovibrational spectroscopy of methoxyphenols using two complementary FTIR and QCL based spectrometers. J Chem Phys. 2019;151(19):194302doi: 10.1063/1.5128196.
Asselin, P., Bruckhuisen, J., Roucou, A., Goubet, M., Martin-Drumel, M. A., Jabri, A., Belkhodja, Y., Soulard, P., Georges, R., & Cuisset, A. (2019). Jet-cooled rovibrational spectroscopy of methoxyphenols using two complementary FTIR and QCL based spectrometers. The Journal of chemical physics, 151(19), 194302. https://doi.org/10.1063/1.5128196
Asselin, P, et al. "Jet-cooled rovibrational spectroscopy of methoxyphenols using two complementary FTIR and QCL based spectrometers." The Journal of chemical physics vol. 151,19 (2019): 194302. doi: https://doi.org/10.1063/1.5128196
Asselin P, Bruckhuisen J, Roucou A, Goubet M, Martin-Drumel MA, Jabri A, Belkhodja Y, Soulard P, Georges R, Cuisset A. Jet-cooled rovibrational spectroscopy of methoxyphenols using two complementary FTIR and QCL based spectrometers. J Chem Phys. 2019 Nov 21;151(19):194302. doi: 10.1063/1.5128196. PMID: 31757131.
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J Chem Phys. 2019 Nov 21;151(19):194302. doi: 10.1063/1.5128196.

Jet-cooled rovibrational spectroscopy of methoxyphenols using two complementary FTIR and QCL based spectrometers.

The Journal of chemical physics

P Asselin, J Bruckhuisen, A Roucou, M Goubet, M-A Martin-Drumel, A Jabri, Y Belkhodja, P Soulard, R Georges, A Cuisset

Affiliations

  1. Laboratoire MONARIS, UMR-CNRS 8233, Sciences Sorbonne Université, Paris, France and Université Pierre et Marie Curie, 75252 Paris, France.
  2. Laboratoire de Physico-Chimie de l'Atmosphère, EA-4493, Université du Littoral Côte d'Opale, 59140 Dunkerque, France.
  3. Université de Lille, CNRS, UMR8523 PhLAM Physique des Lasers Atomes et Molécules, F-59000 Lille, France.
  4. Institut des Sciences Moléculaires d'Orsay (ISMO), CNRS, Univ. Paris-Sud, Université Paris-Saclay, F-91405 Orsay, France.
  5. Université de Rennes, CNRS, IPR (Institut de Physique de Rennes) - UMR 6251, F-35000 Rennes, France.

PMID: 31757131 DOI: 10.1063/1.5128196

Abstract

Methoxyphenols (MPs) are a significant component of biomass burning emissions which mainly exists in our atmosphere in the gas phase where they contribute to the formation of secondary organic aerosols (SOAs). Rovibrational spectroscopy is a promising tool to monitor atmospheric MPs and infer their role in SOA formation. In this study, we bring a new perspective on the rovibrational analysis of MP isomers by taking advantage of two complementary devices combining jet-cooled environments and absorption spectroscopy: the Jet-AILES and the SPIRALES setups. Based on Q-branch frequency positions measured in the Jet-AILES Fourier-transform infrared (FTIR) spectra and guided by quantum chemistry calculations, we propose an extended vibrational and conformational analysis of the different MP isomers in their fingerprint region. Some modes such as far-IR out-of-plane -OH bending or mid-IR in-plane -CH bending allow us to assign individually all the stable conformers. Finally, using the SPIRALES setup with three different external cavity quantum cascade laser sources centered on the 930-990 cm

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