Molecular transitions as probes of the physical conditions of extragalactic environments

Ab initio grids of time dependent chemical models, varying in gas density, temperature, cosmic ray ionization rate, and radiation field, are used as input to RADEX calculations. Tables of abundances, column densities, theoretical line intensities, and line ratios for some of the most used dense gas tracers are provided. The degree of correlation as well as degeneracy inherent in molecular ratios is discussed. Comparisons of the theoretical intensities with example observations are also provided. We find that, within the parameters space explored, chemical abundances can be constrained by a well defined set of gas density-gas temperature-cosmic ray ionization rate for the species we investigate here. However, line intensities, as well as, more importantly, line ratios, from different chemical models can be very similar leading to a clear degeneracy. We also find that the gas subjected to a galactic cosmic ray ionization rate will not necessarily have reached steady state by 1 Myr. The species most affected by time dependency effects are HCN and CS, both high density tracers. We use our method to fit an example set of data from two galaxies. We find that (i) molecular line ratios can be easily matched even with erroneous individual line intensities; (ii) no set of species can be matched by a one-component ISM; (iii) a species may be a good tracer of an energetic process but only under specific density and temperature conditions. We show that by taking into consideration the chemistry behind each species and the individual line intensities, many degeneracies that arise by just using molecular line ratios can be avoided. Finally we show that using a species or a ratio as a tracer of an individual energetic process (e.g. cosmic rays, UV) ought to be done with caution.Comment: A&A in press (in press version will be different from this one as tables will be either in appendix or on the journal online site) This is revised version as figure was wron

Chemical Tracers of Pre-Brown Dwarf Cores Formed Through Turbulent Fragmentation

A gas-grain time dependent chemical code, UCL\_CHEM, has been used to investigate the possibility of using chemical tracers to differentiate between the possible formation mechanisms of brown dwarfs. In this work, we model the formation of a pre-brown dwarf core through turbulent fragmentation by following the depth-dependent chemistry in a molecular cloud through the step change in density associated with an isothermal shock and the subsequent freefall collapse once a bound core is produced. Trends in the fractional abundance of molecules commonly observed in star forming cores are then explored to find a diagnostic for identifying brown dwarf mass cores formed through turbulence. We find that the cores produced by our models would be bright in CO and NH$_3$ but not in HCO$^+$. This differentiates them from models using purely freefall collapse as such models produce cores that would have detectable transitions from all three molecules.Comment: 7 page, 3 figures, Accepted for publication in MNRA

Rapid Star Formation in the Presence of Active Galactic Nuclei

Recent observations reveal galaxies in the early Universe (2<z<6.4) with large reservoirs of molecular gas and extreme star formation rates. For a very large range of sources, a tight relationship exists between star formation rate and the luminosity of the HCN J=1-0 spectral line, but sources at redshifts of z~2 and beyond do not follow this trend. The deficit in HCN is conventionally explained by an excess of infrared (IR) radiation due to active galactic nuclei (AGN). We show in this letter not only that the presence of AGN cannot account for the excess of IR over molecular luminosity, but also that the observed abundance of HCN is in fact consistent with a population of stars forming from near-primordial gas.Comment: 4 pages, 1 figure. Accepted by the Astrophysical Journal Letter

Infrared spectra of cool stars and sunspots

This thesis covers both the theoretical and the experimental aspects of cool and low mass stars' studies. In particular, it concentrates on M dwarfs which constitute about 88[percent] of our Solar neighbourhood. Although so numerous, the physics of M dwarfs is still poorly understood. Most of their energy (about 80%) is emitted between 1 and 5 microns, where strong absorption bands, caused mainly by the water molecule, are present. The interpretation of their colours and of their bolometric luminosities requires sophisticated modelling. The thesis is divided into two parts. The first part consists of the computation of molecular data of water. The applications of these data are various. For example some of these data are used for spectroscopic assignments of water lines in the sunspots. Some will be incorporated in the latest atmospheric models for cool stars. The codes employed calculate quantum mechanically the rotation-vibration energy levels, wavefunctions and associated dipole transition strengths of triatomic molecules. Two water linelists have been calculated and are widely described in this thesis; the first completed linelist, VTP1, has been computed with an accurate empirically determined potential energy surface. It contains all the energy levels and dipole transitions up to j = 38 belonging to the ground vibrational state and some of the ones belonging to the following vibrational bands: 100, 001, 010, 021, 101. The second linelist, ZVPT, has been computed with an ab initio potential energy surface. It includes all the rotational levels up to j = 33 and all the energy levels up to 20000 cm-1. A third, more comprehensive linelist, VT2, is partially complete. The second part of the thesis consists of the description of the observations, reductions and analysis of infrared data obtained with CGS4 (UKIRT) on several cool stars. Among these stars, I have also performed a detailed spectral analysis of the eclipsing binary system CM Draconis: I derived a direct measurement of its metallicity and effective temperature by direct comparison of the observed and synthetic spectra. I produced the synthetic spectra by using one of the latest model atmosphere codes

On the chemistry of hydrides of N atoms and O+^+ ions

Previous work by various authors has suggested that the detection by Herschel/HIFI of nitrogen hydrides along the low density lines of sight towards G10.6-0.4 (W31C) cannot be accounted for by gas-phase chemical models. In this paper we investigate the role of surface reactions on dust grains in diffuse regions, and we find that formation of the hydrides by surface reactions on dust grains with efficiency comparable to that for H$_2$ formation reconciles models with observations of nitrogen hydrides. However, similar surface reactions do not contribute significantly to the hydrides of O$^+$ ions detected by Herschel/HIFI present along many sight lines in the Galaxy. The O$^+$ hydrides can be accounted for by conventional gas-phase chemistry either in diffuse clouds of very low density with normal cosmic ray fluxes or in somewhat denser diffuse clouds with high cosmic ray fluxes. Hydride chemistry in dense dark clouds appears to be dominated by gas-phase ion-molecule reactions.Comment: 19 pages, 4 figures, 4 tables Accepted for publication in Ap

Effective destruction of CO by cosmic rays: implications for tracing H2_2 gas in the Universe

We report on the effects of cosmic rays (CRs) on the abundance of CO in $\rm H_2$ clouds under conditions typical for star-forming galaxies in the Universe. We discover that this most important molecule for tracing H$_2$ gas is very effectively destroyed in ISM environments with CR energy densities $\rm U_{CR}\sim(50-10^{3})\times U_{CR,Gal}$, a range expected in numerous star-forming systems throughout the Universe. This density-dependent effect operates volumetrically rather than only on molecular cloud surfaces (i.e. unlike FUV radiation that also destroys CO), and is facilitated by: a) the direct destruction of CO by CRs, and b) a reaction channel activated by CR-produced He$^{+}$. The effect we uncover is strong enough to render Milky-Way type Giant Molecular Clouds (GMCs) very CO-poor (and thus CO-untraceable), even in ISM environments with rather modestly enhanced average CR energy densities of $\rm U_{CR}\sim(10-50)\times\rm U_{CR,Gal}$. We conclude that the CR-induced destruction of CO in molecular clouds, unhindered by dust absorption, is perhaps the single most important factor controlling the CO-visibility of molecular gas in vigorously star-forming galaxies. We anticipate that a second order effect of this CO destruction mechanism will be to make the H$_2$ distribution in the gas-rich disks of such galaxies appear much clumpier in CO $J$=1--0, 2--1 line emission than it actually is. Finally we give an analytical approximation of the CO/H$_2$ abundance ratio as a function of gas density and CR energy density for use in galaxy-size or cosmological hydrodynamical simulations, and propose some key observational tests.Comment: Accepted for publication in ApJ, 29 page

Nitrogen Fractionation in External Galaxies

In star forming regions in our own Galaxy, the 14N/15N ratio is found to vary from $\sim$ 100 in meteorites, comets and protoplanetary disks up to $\sim$ 1000 in pre-stellar and star forming cores, while in external galaxies the very few single-dish large scale measurements of this ratio lead to values of 100-450. The extent of the contribution of isotopic fractionation to these variations is, to date, unknown. In this paper we present a theoretical chemical study of nitrogen fractionation in external galaxies in order to determine the physical conditions that may lead to a spread of the 14N/15N ratio from the solar value of $\sim$440 and hence evaluate the contribution of chemical reactions in the ISM to nitrogen fractionation. We find that the main cause of ISM enrichment of nitrogen fractionation is high gas densities, aided by high fluxes of cosmic rays.Comment: Accepted by MNRA

Detectability of Glycine in Solar-type System Precursors

Glycine (NH2CH2COOH) is the simplest amino acid relevant for life. Its detection in the interstellar medium is key to understand the formation mechanisms of pre-biotic molecules and their subsequent delivery onto planetary systems. Glycine has extensively been searched for toward hot molecular cores, although these studies did not yield any firm detection. In contrast to hot cores, low-mass star forming regions, and in particular their earliest stages represented by cold pre-stellar cores, may be better suited for the detection of glycine as well as more relevant for the study of pre-biotic chemistry in young Solar System analogs. We present 1D spherically symmetric radiative transfer calculations of the glycine emission expected to arise from the low-mass pre-stellar core L1544. Water vapour has recently been reported toward this core, indicating that a small fraction of the grain mantles in L1544 (~0.5%) has been injected into the gas phase. Assuming that glycine is photo-desorbed together with water in L1544, and considering a solid abundance of glycine on ices of ~1E-4 with respect to water, our calculations reveal that several glycine lines between 67 GHz and 80 GHz have peak intensities larger than 10 mK. These results show for the first time that glycine could reach detectable levels in cold objects such as L1544. This opens up the possibility to detect glycine, and other pre-biotic species, at the coldest and earliest stages in the formation of Solar-type systems with near-future instrumentation such as the Band 2 receivers of ALMA.Comment: 5 pages, 2 figures, 1 tables. Accepted for publication in ApJ Letter