The gas-phase structure determination of α-pinene oxide: An endo-cyclic epoxide of atmospheric interest.

The gas-phase rotational spectra of α-pinene oxide have been recorded using a chirped-pulse Fourier transform microwave spectrometer in the 6-18 GHz frequency range. The parent species and all heavy atom isotopologues (13C and 18O) have been observed in their natural abundance. The experimental rotational constants of all isotopic species observed have been determined and used to obtain the substitution (rs) and the effective (r0) structures of the most stable conformer of α-pinene oxide.

Insights into the non-covalent interactions of hydrogen sulfide with fenchol and fenchone from a gas-phase rotational study.

The gas-phase non-covalent interactions in the -fenchol-HS and fenchone-HS complexes have been unveiled using rotational spectroscopy in a supersonic jet expansion and quantum chemical calculations. In -fenchol, the hydrogen bond HSH⋯OH together with dispersive interactions stabilizes the system. In fenchone, the weak interaction HSH⋯OC allows an internal dynamic of HS.

The conformational landscape of myrtenol: The structure of the hydroxymethyl group and its robustness upon hydration.

The conformational landscape of myrtenol (2-pinen-10-ol) and its robustness upon hydration were investigated theoretically and experimentally by employing a synergic combination of quantum chemical calculations and Fourier transform microwave spectroscopy coupled to a supersonic jet expansion. Relaxed potential energy surfaces have been carried out, and the lowest energy conformers of the monomer were found to be associated with different geometries of the hydroxymethyl group from those previously reported [Sedo et al., J.

Development and validation of a thermally regulated atmospheric simulation chamber (THALAMOS): A versatile tool to simulate atmospheric processes.

Atmospheric simulation chambers, are unique tools for investigating atmospheric processes in the gas and heterogeneous phases. They can provide a controlled yet realistic environment that simulates atmospheric conditions. In the current study, a Teflon atmospheric simulation chamber of 600 L, named THALAMOS (thermally regulated atmospheric simulation chamber) has been developed and cross-validated.