Collisional excitation of singly deuterated ammonia NH2_2D by H2_2

The availability of collisional rate coefficients with H$_2$ is a pre-requisite for interpretation of observations of molecules whose energy levels are populated under non local thermodynamical equilibrium conditions. In the current study, we present collisional rate coefficients for the NH$_2$D / para--H$_2$($J_2 = 0,2$) collisional system, for energy levels up to $J_\tau = 7_7$ ($E_u$$\sim$735 K) and for gas temperatures in the range $T = 5-300$K. The cross sections are obtained using the essentially exact close--coupling (CC) formalism at low energy and at the highest energies, we used the coupled--states (CS) approximation. For the energy levels up to $J_\tau = 4_2$ ($E_u$$\sim$215 K), the cross sections obtained through the CS formalism are scaled according to a few CC reference points. These reference points are subsequently used to estimate the accuracy of the rate coefficients for higher levels, which is mainly limited by the use of the CS formalism. Considering the current potential energy surface, the rate coefficients are thus expected to be accurate to within 5\% for the levels below $J_\tau = 4_2$, while we estimate an accuracy of 30\% for higher levels

Interstellar deuterated ammonia: From NH3 to ND3

We use spectra and maps of NH2D, ND2H, and ND3, obtained with the CSO, IRAM 30m and Arecibo telescopes, to study deuteration processes in dense cores. The data include the first detection of the hyperfine structure of ND2H. The emission of ND2H and ND3 does not seem to peak at the positions of the embedded protostars, but instead at offset positions, where outflow interactions may occur. A constant ammonia fractionation ratio in star-forming regions is generally assumed to be consistent with an origin on dust grains. However, in the pre-stellar cores studied here, the fractionation varies significantly when going from NH3 to ND3. We present a steady state model of the gas-phase chemistry for these sources, which includes passive depletion onto dust grains and multiply saturated deuterated species up to five deuterium atoms (e.g. CD5+). The observed column density ratios of all four ammonia isotopologues are reproduced within a factor of 3 for a gas temperature of 10 K. We also predict that deuterium fractionation remains significant at temperatures up to 20 K. ND and NHD, which have rotational transitions in the submillimeter domain are predicted to be abundant.Comment: 14 pages, 12 figures, 12 table

Nitrogen isotopic ratios in Barnard 1: a consistent study of the N2H+, NH3, CN, HCN and HNC isotopologues

The 15N isotopologue abundance ratio measured today in different bodies of the solar system is thought to be connected to 15N-fractionation effects that would have occured in the protosolar nebula. The present study aims at putting constraints on the degree of 15N-fractionation that occurs during the prestellar phase, through observations of D, 13C and 15N-substituted isotopologues towards B1b. Both molecules from the nitrogen hydride family, i.e. N2H+ and NH3, and from the nitrile family, i.e. HCN, HNC and CN, are considered in the analysis. As a first step, we model the continuum emission in order to derive the physical structure of the cloud, i.e. gas temperature and H2 density. These parameters are subsequently used as an input in a non-local radiative transfer model to infer the radial abundances profiles of the various molecules. Our modeling shows that all the molecules are affected by depletion onto dust grains, in the region that encompasses the B1-bS and B1-bN cores. While high levels of deuterium fractionation are derived, we conclude that no fractionation occurs in the case of the nitrogen chemistry. Independently of the chemical family, the molecular abundances are consistent with 14N/15N~300, a value representative of the elemental atomic abundances of the parental gas. The inefficiency of the 15N-fractionation effects in the B1b region can be linked to the relatively high gas temperature ~17K which is representative of the innermost part of the cloud. Since this region shows signs of depletion onto dust grains, we can not exclude the possibility that the molecules were previously enriched in 15N, earlier in the B1b history, and that such an enrichment could have been incorporated into the ice mantles. It is thus necessary to repeat this kind of study in colder sources to test such a possibility.Comment: accepted in A&

Collisional excitation of doubly and triply deuterated ammonia ND2_2H and ND3_3 by H2_2

The availability of collisional rate coefficients is a prerequisite for an accurate interpretation of astrophysical observations, since the observed media often harbour densities where molecules are populated under non--LTE conditions. In the current study, we present calculations of rate coefficients suitable to describe the various spin isomers of multiply deuterated ammonia, namely the ND$_2$H and ND$_3$ isotopologues. These calculations are based on the most accurate NH$_3$--H$_2$ potential energy surface available, which has been modified to describe the geometrical changes induced by the nuclear substitutions. The dynamical calculations are performed within the close--coupling formalism and are carried out in order to provide rate coefficients up to a temperature of $T$ = 50K. For the various isotopologues/symmetries, we provide rate coefficients for the energy levels below $\sim$ 100 cm$^{-1}$. Subsequently, these new rate coefficients are used in astrophysical models aimed at reproducing the NH$_2$D, ND$_2$H and ND$_3$ observations previously reported towards the prestellar cores B1b and 16293E. We thus update the estimates of the corresponding column densities and find a reasonable agreement with the previous models. In particular, the ortho--to--para ratios of NH$_2$D and NHD$_2$ are found to be consistent with the statistical ratios

Incorporation of stochastic chemistry on dust grains in the PDR code using moment equations

Unlike gas-phase reactions, chemical reactions taking place on interstellar dust grain surfaces cannot always be modeled by rate equations. Due to the small grain sizes and low flux,these reactions may exhibit large fluctuations and thus require stochastic methods such as the moment equations. We evaluate the formation rates of H2, HD and D2 molecules on dust grain surfaces and their abundances in the gas phase under interstellar conditions. We incorporate the moment equations into the Meudon PDR code and compare the results with those obtained from the rate equations. We find that within the experimental constraints on the energy barriers for diffusion and desorption and for the density of adsorption sites on the grain surface, H2, HD and D2 molecules can be formed efficiently on dust grains. Under a broad range of conditions, the moment equation results coincide with those obtained from the rate equations. However, in a range of relatively high grain temperatures, there are significant deviations. In this range, the rate equations fail while the moment equations provide accurate results. The incorporation of the moment equations into the PDR code can be extended to other reactions taking place on grain surfaces

N2H+ and N2D+ in interstellar molecular clouds. II- Observations

We present observations of the $J$=1--0, 2--1, and 3--2 rotational transitions of N$_2$H$^+$ and N$_2$D$^+$ towards a sample of prototypical dark clouds. The data have been interpreted using non--local radiative transfer models.Comment: 12 pages, 18 figure

The IRAM-30m line survey of the Horsehead PDR: IV. Comparative chemistry of H2CO and CH3OH

Aims. We investigate the dominant formation mechanism of H2CO and CH3OH in the Horsehead PDR and its associated dense core. Methods. We performed deep integrations of several H2CO and CH3OH lines at two positions in the Horsehead, namely the PDR and dense core, with the IRAM-30m telescope. In addition, we observed one H2CO higher frequency line with the CSO telescope at both positions. We determine the H2CO and CH3OH column densities and abundances from the single-dish observations complemented with IRAM-PdBI high-angular resolution maps (6") of both species. We compare the observed abundances with PDR models including either pure gas-phase chemistry or both gas-phase and grain surface chemistry. Results. We derive CH3OH abundances relative to total number of hydrogen atoms of ~1.2e-10 and ~2.3e-10 in the PDR and dense core positions, respectively. These abundances are similar to the inferred H2CO abundance in both positions (~2e-10). We find an abundance ratio H2CO/CH3OH of ~2 in the PDR and ~1 in the dense core. Pure gas-phase models cannot reproduce the observed abundances of either H2CO or CH3OH at the PDR position. Both species are therefore formed on the surface of dust grains and are subsequently photodesorbed into the gas-phase at this position. At the dense core, on the other hand, photodesorption of ices is needed to explain the observed abundance of CH3OH, while a pure gas-phase model can reproduce the observed H2CO abundance. The high-resolution observations show that CH3OH is depleted onto grains at the dense core. CH3OH is thus present in an envelope around this position, while H2CO is present in both the envelope and the dense core itself. Conclusions. Photodesorption is an efficient mechanism to release complex molecules in low FUV-illuminated PDRs, where thermal desorption of ice mantles is ineffective.Comment: 12 pages, 5 tables, 7 figures; Accepted for publication in A&

Discovery of CH and OH in the -513 km s-1 Ejecta of Eta Carinae

The very massive star, Eta Carinae, is enshrouded in an unusual complex of stellar ejecta, which is highly depleted in C and O, and enriched in He and N. This circumstellar gas gives rise to distinct absorption components corresponding to at least 20 different velocities along the line-of-sight. The velocity component at -513 kms-1 exhibits very low ionization with predominantly neutral species of iron-peak elements. Our statistical equilibrium/photoionization modeling indicates that the low temperature (T = 760 K) and high density (n_H=10^7 cm^-3) of the -513 kms-1 component is conducive to molecule formation including those with the elements C and O. Examination of echelle spectra obtained with the Space Telescope Imaging Spectrograph (STIS) aboard the confirms the model's predictions. The molecules, H_2, CH, and most likely OH, have been identified in the -513 kms-1 absorption spectrum. This paper presents the analysis of the HST/STIS spectra with the deduced column densities for CH, OH and C I, and upper limit for CO. It is quite extraordinary to see molecular species in a cool environment at such a high velocity. The sharp molecular and ionic absorptions in this extensively CNO- processed material offers us a unique environment for studying the chemistry, dust formation processes, and nucleosynthesis in the ejected layers of a highly evolved massive star.Comment: tentatively scheduled for the ApJ 1 September 2005, v630, 1 issu

Central limit theorems for arrays of decimated linear processes

Linear processes are defined as a discrete-time convolution between a kernel and an infinite sequence of i.i.d. random variables. We modify this convolution by introducing decimation, that is, by stretching time accordingly. We then establish central limit theorems for arrays of squares of such decimated processes. These theorems are used to obtain the asymptotic behavior of estimators of the spectral density at specific frequencies. Another application, treated elsewhere, concerns the estimation of the long-memory parameter in time series, using wavelets.The authors would like to thank the referee for his/her suggestions. Murad S. Taqqu would like to thank Telecom Paris Tech for their hospitality. This research was partially supported by the NSF Grants DMS-0505747 and DMS-0706786 at Boston University. (DMS-0505747 - NSF; DMS-0706786 - NSF)First author draf