Title :

The hydration of polycyclic aromatic compounds: the case of α-naphthaldehyde

Author(s) :

Claus, Jordan [Auteur]
Physique Moléculaire aux Interfaces [PMI]
Bermudez, Celina [Auteur]
Physique Moléculaire aux Interfaces [PMI]
Universidad de Valladolid [Valladolid] [UVa]
Goubet, Manuel [Auteur]
Physique Moléculaire aux Interfaces [PMI]
Margules, Laurent [Auteur]
Physique Moléculaire aux Interfaces [PMI]

Conference title :

27th Colloquium on High-Resolution Molecular Spectroscopy (HRMS Cologne 2021)

City :

Cologne

Country :

Allemagne

Start date of the conference :

2021-08-29

Publication date :

2021-08-29

HAL domain(s) :

Chimie/Chimie théorique et/ou physique
Physique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]
Physique [physics]

English abstract : [en]

Polycyclic aromatic hydrocarbons (PAHs) and their oxygenated products (oxi-PAH) are considered as important pollutants of the Earth's atmosphere since they are emitted by the combustion of fuels. [1] The study of their ...
Show more >Polycyclic aromatic hydrocarbons (PAHs) and their oxygenated products (oxi-PAH) are considered as important pollutants of the Earth's atmosphere since they are emitted by the combustion of fuels. [1] The study of their intermolecular interactions is essential to understand the formation of their aerosols. In this work, we have studied at molecular level the interactions present in the hydration of the oxi-PAH, α-naphthaldehyde. This study has been performed using a supersonic jet Fourier transform microwave (FTMW) spectrometer in the 4-15 GHz range, with the support of theoretical calculations. The isolated α-naphthaldehyde species could present two possible structures: cis, the most stable one, and trans. [2] Our calculations show that there are three low energy monohydrates predicted for each conformer, cis/trans, in a range of 1500 cm-1. Experimentally, a single conformer has been observed in gas phase, corresponding to the most stable one. This species is stabilized by two intermolecular H-bonds between the water molecule and the aldehyde group of α-cis-naphthaldehyde, where the oxygen of the aldehyde acts as proton acceptor and the aldehyde hydrogen as proton donor.[3][1] Karavalakis G. et al. Sci. Tot. Environ., 409, 4, 738, 2011. [2] Goubet M., et al. J. Phys. Chem. A, 124, 4484, 2020. [3] This work is supported by the CaPPA project and by the CPER ClimiBio funded by the French National Research Agency (ANR) through the PIA 11-LABX-0005-01, the I-SITE ULNE/ANR-16-IDEX-0004 ULNE, the Regional Council Hauts-de-France and the European Funds for Regional Economic Development (FEDER).Show less >

Language :

Anglais

Peer reviewed article :

Non

Audience :

Internationale

Popular science :

Non

ANR Project :

Physiques et Chimie de l'Environnement Atmosphérique
ULNE

Collections :

• Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM) - UMR 8523

Source :

Harvested from HAL