Millimeter-Wave Spectroscopy of Methylfuran Isomers: Local vs. Global Treatments of the Internal Rotation.

Methylfurans are methylated aromatic heterocyclic volatile organic compounds and primary or secondary pollutants in the atmosphere due to their capability to form secondary organic aerosols in presence of atmospheric oxidants. There is therefore a significant interest to monitor these molecules in the gas phase. High resolution spectroscopic studies of methylated furan compounds are generally limited to pure rotational spectroscopy in the vibrational ground state.

Laboratory study of iron isotope fractionation during dissolution of mineral dust and industrial ash in simulated cloud water.

Atmospheric deposition is a key mode of iron (Fe) input to ocean regions where low concentrations of this micronutrient limit marine primary production. Various natural particles (e.g.

Intramolecular H-Bond Dynamics of Catechol Investigated by THz High-Resolution Spectroscopy of Its Low-Frequency Modes.

Catechol is an oxygenated aromatic volatile organic compound and a biogenic precursor of secondary organic aerosols. Monitoring this compound in the gas phase is desirable due to its appreciable reactivity with tropospheric ozone. From a molecular point of view, this molecule is attractive since the two adjacent hydroxy groups can interchangeably act as donor and acceptor in an intramolecular hydrogen bonding due to the tunnelling between two symmetrically equivalent structures.

Characterization of the Observed Electric Field and Molecular Relaxation Times for Millimeter-Wave Chirped Pulse Instrumentation.

In a chirped pulse experiment, the strength of the signal level is proportional to the amplitude of the electric field, which is weaker in the millimeter-wave or submillimeter-wave region than in the microwave region. Experiments in the millimeter region thus require an optimization of the coupling between the source and the molecular system and a method to estimate the amplitude of the electric field as seen by the molecular system. We have developed an analytical model capable of reproducing the coherent transient signals obtained with a millimeter-wave chirped pulse setup operated in a monochromatic pulse mode.

Conformational landscape and inertial defect of methoxyphenol isomers studied by mm-wave spectroscopy and quantum chemistry calculations.

Because methoxyphenols (MP) are emitted in significant quantities during biomass fires and contribute to the secondary organic aerosols formation which impacts the climate, their gas phase monitoring in the atmosphere is crucial and requires accurate rovibrational cross sections determined with a good knowledge of their ground state (GS) and vibrationally excited state (ES) molecular parameters. Therefore, the rotational spectra of the two isomers, 2-MP (guaïacol) and 4-MP (mequinol), have been measured in absorption and in emission at room temperature using a frequency multiplication chain and a mm-wave Fourier transform chirped-pulse spectrometer, respectively. Guided by quantum chemistry calculations, the conformational landscape has been characterised and the observation of only one rotamer in the spectra of 2-MP and 4-MP has been explained.