THE JET-COOLED HIGH-RESOLUTION FAR-IR SPECTRUM OF FORMIC ACID CYCLIC DIMER

Huet, Therese R.

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https://hdl.handle.net/2142/100469 Copy

Description

Title

THE JET-COOLED HIGH-RESOLUTION FAR-IR SPECTRUM OF FORMIC ACID CYCLIC DIMER

Author(s)

Huet, Therese R.

Contributor(s)

• Georges, Robert
• Asselin, Pierre
• Soulard, Pascale
• Pirali, Olivier
• Goubet, Manuel
• Bteich, Sabath

Issue Date

06/20/18

Keyword(s)

Mini-symposium: Far-Infrared Spectroscopy

Abstract

The cyclic conformation of the formic acid dimer \chem{(HCOOH)_2} (FACD) is an elementary system under study to understand the concerted hydrogen transfer through equivalent hydrogen bonds. To this end, high-resolution molecular spectroscopy coupled to quantum chemical calculations is a powerful technique. So far molecular parameters have been reported for the ground state, the \nub{22}, \nub{21} and \nub{12}+\nub{14} vibrational levels, from spectra recorded using laser-based techniques in the 7.2 $\mu$m region \footnote{M. Ortlieb and M. Havenith, \textit{J. Phys. Chem. A} \textbf{111}, 7355 (2007) ; K. G. Goroya, Y. Zhu, P. Sun, and C. Duan, \textit{J. Chem. Phys.} \textbf{140}, 164311 (2014) ; Y. Zhang, W. Li, W. Luo, Y. Zhu, and C. Duan, \textit{J. Chem. Phys.} \textbf{146}, 244306 (2017).}. Last year we reported the spectra associated with six rotationally resolved IR bands of FADC, recorded under jet-cooled conditions with the FTIR JET-AILES apparatus at synchrotron SOLEIL, and a QCL spectrometer at MONARIS. A special attention was paid to the analysis of the far-IR \nub{24} fundamental band, associated with the intermolecular in-plane bending mode. Splittings due to vibration-rotation-tunneling motions were clearly observed and assigned. We will present the results of the analysis, using the model recently proposed by Zhang \textit{et al} ,$^{a}$ which is based on the inclusion of a c-type Coriolis-like coupling term to reproduce the rotation-tunneling interaction. This model was successfully used in the 7.2 $\mu$m region. The authors gratefully acknowledge the staff of the AILES beamline at synchrotron SOLEIL. The present work was funded by the French ANR Labex CaPPA through the PIA (contract ANR-11-LABX-0005-01), by the Regional Council Hauts de France, and by the European Funds for Regional Economic Development (FEDER).

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

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http://hdl.handle.net/2142/100469

DOI

10.15278/isms.2018.WC07

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