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Alexandre Faure

Publications and source records attributed to Alexandre Faure.

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The 15N-enrichment in dark clouds and Solar System objects

The line intensities of the fundamental rotational transitions of H13CN and HC15N were observed towards two prestellar cores, L183 and L1544, and lead to molecular isotopic ratios 140 6 14N/15N 6 250 and 140 6 14N/15N 6 360, respectively. The range of values reflect genuine spatial variations within the cores. A comprehensive analysis of the available measurements of the nitrogen isotopic ratio in prestellar cores show that molecules carrying the nitrile functional group appear to be systematically 15N-enriched com- pared to those carrying the amine functional group. A chemical origin for the differential 15N-enhance- ment between nitrile- and amine-bearing interstellar molecules is proposed. This sheds new light on several observations of Solar System objects: (i) the similar N isotopic fractionation in Jupiter's NH3 and solar wind N+; (ii) the 15N-enrichments in cometary HCN and CN (that might represent a direct inter- stellar inheritance); and (iii) 15N-enrichments observed in organics in primitive cosmomaterials. The large variations in the isotopic composition of N-bearing molecules in Solar System objects might then simply reflect the different interstellar N reservoirs from which they are originating.

astro-ph.GA

A study of deuterated water in the low-mass protostar IRAS16293-2422

The HDO/H2O ratio is a powerful diagnostic to understand the evolution of water from the first stages of star formation to the formation of planets and comets. Our aim is to determine precisely the abundance distribution of HDO towards the low-mass protostar IRAS16293-2422 and learn more about the water formation mechanisms by determining the HDO/H2O abundance ratio. A spectral survey of the source IRAS16293-2422 was carried out in the framework of the CHESS Herschel Key program with the HIFI instrument, allowing the detection of numerous HDO lines. Other transitions have been observed previously with ground-based telescopes. The spherical Monte Carlo radiative transfer code RATRAN was used to reproduce the observed line profiles of HDO by assuming an abundance jump. To determine the H2O abundance throughout the envelope, a similar study was made of the H2-18O observed lines, as the H2O main isotope lines are contaminated by the outflows. We derive an inner HDO abundance of 1.7e-7 and an outer HDO abundance of 8e-11. To reproduce the HDO absorption lines, it is necessary to add an absorbing layer in front of the envelope. It may correspond to a water-rich layer created by the photodesorption of the ices at the edges of the molecular cloud. The HDO/H2O ratio is ~1.4-5.8% in the hot corino whereas it is ~0.2-2.2% in the outer envelope. It is estimated at ~4.8% in the added absorbing layer. Although it is clearly higher than the cosmic D/H abundance, the HDO/H2O ratio remains lower than the D/H ratio derived for other deuterated molecules observed in the same source. The similarity of the ratios derived in the hot corino and in the added absorbing layer suggests that water formed before the gravitational collapse of the protostar, contrary to formaldehyde and methanol, which formed later once the CO molecules had depleted on the grains.

astro-ph.GA

Nitrogen hydrides and the H2 ortho-to-para ratio in dark clouds

Nitrogen bearing species are common tracers of the physical conditions in a wide variety of objects, and most remarkably in dark clouds. The reservoir of gaseous nitrogen is expected to be atomic or molecular, but none of the two species are observable in the dark gas. Their abundances therefore derive indirectly from those of N-bearing species through chemical modelling. The recent years have accumulated data which stress our incomplete understanding of the nitrogen chemistry in dark cloud conditions. To tackle this problem of the nitrogen chemistry in cold gas, we have revised the formation of nitrogen hydrides, which is initiated by the key reaction \ce{N+ + H2 -> NH+ + H}. We propose a new rate for this reaction which depends on the ortho-to-para ratio of H2. This new rate allows to reproduce the abundance ratios of the three nitrogen hydrides, NH, \ce{NH2}, and \ce{NH3}, observed towards IRAS16293-2422, provided that the channel leading to NH from the dissociative recombination of \ce{N2H+} is not closed at low temperature. The ortho-to-para ratio of H2 is constrained to O/P=$10^{-3}$ by the abundance ratio NH:NH2, which provides a new method to measure O/P. This work stresses the need for reaction rates at the low temperatures of dark clouds, and for branching ratios of critical dissociative recombination reactions.

astro-ph.GA

Collisional excitation of doubly deuterated ammonia NHD2 by para-H2

Collisional de-excitation rates of partially deuterated molecules are different from the fully hydrogenated species because of lowering of symmetry. We compute the collisional (de)excitation rates of ND2H by ground state para-H2, extending the previous results for He- lium. We describe the changes in the potential energy surface of NH3- H2 involved by the pres- ence of two deuterium nuclei. Cross sections are calculated within the full close-coupling ap- proach and augmented with coupled-state calculations. Collisional rate coefficients are given between 5 and 35 K, a range of temperatures which is relevant to cold interstellar conditions. We find that the collisional rates of ND2H by H2 are about one order of magnitude higher than those obtained with Helium as perturber. These results are essential to radiative transfer modelling and will allow to interpret the millimeter and submillimeter detections of ND2H with better constraints than previously.

astro-ph.GA

Ab initio computation of the broadening of water rotational lines by molecular hydrogen

Theoretical cross sections for the pressure broadening by hydrogen of rotational transitions of water are compared to the latest available measurements in the temperature range 65-220 K. A high accuracy interaction potential is employed in a full close coupling calculation. A good agreement with experiment is observed above ~80 K while the sharp drop observed experimentally at lower temperatures is not predicted by our calculations. Possible explanations for this discrepancy include the failure of the impact approximation and the possible role of ortho-to-para conversion of H2.

physics.chem-ph

Nitrogen hydrides in the cold envelope of IRAS16293-2422

Nitrogen is the fifth most abundant element in the Universe, yet the gas-phase chemistry of N-bearing species remains poorly understood. Nitrogen hydrides are key molecules of nitrogen chemistry. Their abundance ratios place strong constraints on the production pathways and reaction rates of nitrogen-bearing molecules. We observed the class 0 protostar IRAS16293-2422 with the heterodyne instrument HIFI, covering most of the frequency range from 0.48 to 1.78~THz at high spectral resolution. The hyperfine structure of the amidogen radical o-NH2 is resolved and seen in absorption against the continuum of the protostar. Several transitions of ammonia from 1.2 to 1.8~THz are also seen in absorption. These lines trace the low-density envelope of the protostar. Column densities and abundances are estimated for each hydride. We find that NH:NH2:NH3=5:1:300. {Dark clouds chemical models predict steady-state abundances of NH2 and NH3 in reasonable agreement with the present observations, whilst that of NH is underpredicted by more than one order of magnitude, even using updated kinetic rates. Additional modelling of the nitrogen gas-phase chemistry in dark-cloud conditions is necessary before having recourse to heterogen processes.

astro-ph.GA

The magnetic precursor of L1448-mm: Excitation differences between ion and neutral fluids

Shock modelling predicts an electron density enhancement within the magnetic precursor of C-shocks. Previous observations of SiO, H13CO+, HN13C and H13CN toward the young L1448-mm outflow showed an over-excitation of the ion fluid that was attributed to an electron density enhancement in the precursor. We re-visit this interpretation and test if it still holds when we consider different source morphologies and kinetic temperatures for the observed molecules, and also give some insight on the spatial extent of the electron density enhancement around L1448-mm. We estimate the opacities of H13CO+ and HN13C by observing the J=3\to2 lines of rarer isotopologues to confirm that the emission is optically thin. To model the excitation of the molecules, we use the large velocity gradient (LVG) approximation with updated collisional coefficients to i) re- analyse the observations toward the positions where the over-excitation of H13CO+ has previously been observed [i.e. toward L1448- mm at offsets (0,0) and (0,-10)], and ii) to investigate if the electron density enhancement is still required for the cases of extended and compact emission, and for kinetic temperatures of up to 400 K. We also report several lines of SiO, HN13C and H13CO+ toward new positions around this outflow, to investigate the spatial extent of the over-excitation of the ions in L1448-mm. From the isotopologue observations, we find that the emission of H13CO+ and HN13C from the precursor is optically thin if this emission is extended. Using the new collisional coefficients, an electron density enhancement is still needed to explain the excitation of H13CO+ for extended emission and for gas temperatures of\le 400 K toward L1448-mm (0,-10), and possibly also toward L1448-mm (0,0). For compact emission the data cannot be fitted. We do not find any evidence for the over-excitation of the ion fluid toward the newly observed positions around L1448-mm. The observed line emission of SiO, H13CO+ and HN13C toward L1448-mm (0,0) and (0,-10) is consistent with an electron density enhancement in the precursor component, if this emission is spatially extended. This is also true for the case of high gas temperatures (\le400 K) toward the (0,-10) offset. The electron density enhancement seems to be restricted to the southern, redshifted lobe of the L1448-mm outflow. Interferometric images of the line emission of these molecules are needed to confirm the spatial extent of the over-excitation of the ions and thus, of the electron density enhancement in the magnetic precursor of L1448-mm.

astro-ph.SR

Calculation of rate constants for vibrational and rotational excitation of the H3+ ion by electron impact

We present theoretical thermally-averaged rate constants for vibrational and rotational (de-)excitation of the H3+ ion by electron impact. The constants are calculated using the multi-channel quantum-defect approach. The calculation includes processes that involve a change Delta J<=2 in the rotational angular momentum J of H3+. The rate constants are calculated for states with J<=5 for rotational transitions of the H3+ ground vibrational level. The thermal rates for transitions among the lowest eight vibrational levels are also presented, averaged over the rotational structure of the vibrational levels. The conditions for producing non-thermal rotational and vibrational distributions of H3+ in astrophysical environments are discussed.

physics.atom-ph

On the robustness of the ammonia thermometer

Ammonia inversion lines are often used as probes of the physical conditions in the dense ISM. The excitation temperature between the first two para metastable (rotational) levels is an excellent probe of the gas kinetic temperature. However, the calibration of this ammonia thermometer depends on the accuracy of the collisional rates with H2. Here we present new collisional rates for ortho-NH3 and para-NH3 colliding with para-H2 (J=0) and we investigate the effects of these new rates on the excitation of ammonia. Scattering calculations employ a new, high accuracy, potential energy surface computed at the coupled-cluster CCSD(T) level with a basis set extrapolation procedure. Rates are obtained for all transitions involving ammonia levels with J <= 3 and for kinetic temperatures in the range 5-100 K. We find that the calibration curve of the ammonia thermometer -- which relates the observed excitation temperature between the first two para metastable levels to the gas kinetic temperature -- does not change significantly when these new rates are used. Thus, the calibration of ammonia thermometer appears to be robust. Effects of the new rates on the excitation temperature of inversion and rotation-inversion transitions are also found to be small.

astro-ph.GA

Rotational Excitation of HC_3N by H_2 and He at low temperatures

Rates for rotational excitation of HC3N by collisions with He atoms and H2 molecules are computed for kinetic temperatures in the range 5-20K and 5-100K, respectively. These rates are obtained from extensive quantum and quasi-classical calculations using new accurate potential energy surfaces (PES).

physics.chem-ph

Sulphur chemistry and molecular shocks: the case of NGC1333-IRAS2

We present SO and SO2 observations in the region of the low mass protostar IRAS2/NGC1333. The East-West outflow originating from this source has been mapped in four transitions of both SO and SO2. In addition, CS observations published in the literature have been used. We compute the SO, SO2 and CS column densities and the physical conditions at several positions of the outflow using LTE and a non-LTE LVG approximations. The SO2/SO and CS/SO abundance ratios are compared with the theoretical predictions of a chemical model adapted to the physical conditions in the IRAS2 outflow. The SO2/SO abundance ratios are constant in the two lobes of the outflow whereas CS/SO is up to 6 times lower in the shocked gas of the East lobe than in the West one. The comparison with the chemical model allows us to constrain the age of the outflow produced by IRAS2 to >5e3yr. We find low densities and temperatures for the outflow of IRAS2 (< 1e6 cm-3 and >70 K) from SO and SO2 emission probably because the two molecules trace the cooled entrained material. The East lobe of the outflow shows denser gas compared to the West lobe. We also discuss some constraints on the depleted form of sulphur.

astro-ph