Oxygen fractionation in dense molecular clouds.

We have developed the first gas-grain chemical model for oxygen fractionation (also including sulphur fractionation) in dense molecular clouds, demonstrating that gas-phase chemistry generates variable oxygen fractionation levels, with a particularly strong effect for NO, SO, O2, and SO2. This large effect is due to the efficiency of the neutral 18O + NO, 18O + SO, and 18O + O2 exchange reactions. The modeling results were compared to new and existing observed isotopic ratios in a selection of cold cores. The good agreement between model and observations requires that the gas-phase abundance of neutral oxygen atoms is large in the observed regions. The S16O/S18O ratio is predicted to vary substantially over time showing that it can be used as a sensitive chemical proxy for matter evolution in dense molecular clouds.

Rotational excitation of the interstellar NH2 radical by H2.

We present quantum close-coupling calculations for the rotational excitation of the interstellar amidogen radical NH2 due to collisions with H2 molecules. The calculations are based on a recent, high-accuracy full-dimensional NH4 potential energy surface adapted for rigid-rotor scattering calculations. The collisional cross section calculations are performed for all transitions among the first 15 energy levels of both ortho- and para-NH2 and for total energies up to 1500 cm-1. Both para- and ortho-H2 colliding partners are considered. The cross sections for collision with para- and ortho-H2 are found to differ significantly, the magnitude of the ortho-H2 ones being dominant. No strong propensity rules are observed but transitions with Δkc=0 are slightly favored.

Fine and hyperfine excitation of NH and ND by He: on the importance of calculating rate coefficients of isotopologues.

The NH and ND molecules play an important role in interstellar nitrogen chemistry. Accurate modeling of their abundance in space requires the calculation of rates for collisional excitation by the most abundant interstellar species. We calculate rate coefficients for the fine and hyperfine excitation of NH and ND by He. State-to-state rate coefficients between the first levels of NH and ND were obtained for temperatures ranging from 5 to 150 K. Fine structure resolved rate coefficients present a strong propensity rule in favor of Δj = ΔN transitions, as expected from theoretical considerations. The Δj = ΔF(1) = ΔF propensity rule is observed for the hyperfine transitions of both isotopologues. The two sets of fine structure resolved rate coefficients are compared in detail and we find significant differences between the two isotopologues. This comparison shows that specific calculations are necessary for the deuterated isotopologues of any hydride. The new rate coefficients will help significantly in the interpretation of NH and ND terahertz spectra observed with current and future telescopes, and enable these molecules to become a powerful astrophysical tool for studying the nitrogen chemistry.

The ubiquity of micrometer-sized dust grains in the dense interstellar medium.

Cold molecular clouds are the birthplaces of stars and planets, where dense cores of gas collapse to form protostars. The dust mixed in these clouds is thought to be made of grains of an average size of 0.1 micrometer. We report the widespread detection of the coreshine effect as a direct sign of the existence of grown, micrometer-sized dust grains. This effect is seen in half of the cores we have analyzed in our survey, spanning all Galactic longitudes, and is dominated by changes in the internal properties and local environment of the cores, implying that the coreshine effect can be used to constrain fundamental core properties such as the three-dimensional density structure and ages and also the grain characteristics themselves.