Searcharxiv⌕ Search

arXiv subjects

F. Lique

Publications and source records attributed to F. Lique.

At least 19 recordsLinked to original sources
arXiv2026

A differentiable and optimizable 3D model for interpretation of observed spectral data cubes

Molecular spectral cubes of prestellar cores encode the information on the physical and chemical properties of these objects along the line of sight. To retrieve this information, we need an interpretable model that reproduces the observed spectra. We designed a differentiable 3D geometrical model that produces synthetic observations from the parameterized density and velocity fields, and that can be efficiently optimized to reproduce the real data cubes. The model has been applied to p-NH2D and N2D+ spectral cubes in the prestellar core L1544. The optimized model suggests that to reproduce the observed velocity difference between p-NH2D and N2D+ in L1544, an asymmetric structure in density and velocity is necessary.

astro-ph.GA↗
arXiv2025

Analysis of the isotopologues of CS, CCS, CCCS, HCS+, HCCS+, and H2CS in TMC-1 with the QUIJOTE line survey

We performed a detailed analysis of the isotopologues with 13C, 34S, 33S, and 36S of the sulphur-bearing molecules CS, CCS, CCCS,HCS+, HCCS+, and H2CS towards TMC-1 using the QUIJOTE1. The observations were obtained with the Yebes radio telescope. Observations with the IRAM 30m of the most abundant isotopologues of these species are also presented and used to estimate volume densities and to constrain the excitation conditions. We report the first detection in space of C13C34S, CC33S, CCC33S, HC33S+, and HCC34S+. C36S is also detected for the first time in a cold object. We also complemented with maps that provide the spatial distribution of most of these species. Using the available collisional rate coefficients for each species, we modeled the observed line intensities using the large velocity gradient method for the radiative transfer. We report the most complete analysis of the column densities of the CnS family and to compare the abundance ratios of all detected isotopologues. Adopting a T_k for TMC-1 of 9K, we found that n(H2)=0.9-1.5X10^4cm-3 can explain the observed decline in intensity with increasing J. We derived the rot. constants for the C13C34S, CC33S, CCC33S, HC33S+, and HCC34S+ isotopologues from new laboratory data and complemented them with the frequencies of the observed lines. We find that all S isotopologues are consistent with solar isotopic abundance ratios. Accurate 12C/13C abundances were derived and, as previously suggested, the 13C isotopologues of CCS and CCCS show strong abundance anomalies depending on the position of the substituted carbon. Nevertheless, the 12C/13C abundance ratio is practically identical to the solar value for CS, HCS+, and H2CS. We also searched for the isotopologues of other S-bearing molecules. The expected intensities for their 34S and 13C isotopologues are too low to be detected with the present sensitivity of the QUIJOTE, however.

astro-ph.GA↗
arXiv2025

Hunting pre-stellar cores with APEX: overview

[Abridged] $Context.$ Pre-stellar cores are centrally concentrated starless cores on the verge of star formation and they represent the initial conditions for star and planet formation. Pre-stellar cores host an active organic chemistry and isotopic fractionation, kept stored into thick icy mantles, which can be inherited by the future protoplanetary disks and planetesimals. So far, only a few have been studied in detail, with special attention being paid to L1544 in the Taurus Molecular Cloud. $Aims.$ The aim is to identify nearby ($<$200 pc) pre-stellar cores in an unbiased way, to build a sample that can then be studied in detail. $Methods.$ We first used the Herschel Gould Belt Survey archival data, selecting all those starless cores with central H$_2$ number densities higher than or equal to 3$\times$10$^5$ cm$^{-3}$, the density of L1544 within the Herschel beam. The selected 40 (out of 1746) cores have then been observed in N$_2$H$^+$(3-2) and N$_2$D$^+$(4-3) using the APEX antenna. $Results.$ A total of 17 bona-fide (i.e., with a deuterium fraction larger than 10%) pre-stellar cores have been identified. Other 16 objects can also be considered pre-stellar, as they are dynamically evolved starless cores, but their deuterium fraction is relatively low ($<$10%). The remaining 7 objects have been found associated with very young stellar objects. $Conclusions.$ Dust continuum emission, together with spectroscopic observations of N$_2$H$^+$(3-2) and N$_2$D$^+$(4-3), is a powerful tool to identify pre-stellar cores in molecular clouds. Detailed modeling of the physical structure of the objects is now required for reconstructing the chemical composition as a function of radius. This work has provided a statistically significant sample of 33 pre-stellar cores, a crucial step in the understanding of the process of star and planet formation.

astro-ph.GA↗
arXiv2025

PDRs4All. XII. FUV-driven formation of hydrocarbon radicals and their relation with PAHs

We present subarcsecond-resolution ALMA mosaics of the Orion Bar PDR in [CI] 609um, C2H (4-3), and C18O (3-2) emission lines complemented by JWST images of H2 and aromatic infrared band (AIB) emission. The rim of the Bar shows very corrugated structures made of small-scale H2 dissociation fronts (DFs). The [CI] 609 um emission peaks very close (~0.002 pc) to the main H2-emitting DFs, suggesting the presence of gas density gradients. These DFs are also bright and remarkably similar in C2H emission, which traces "hydrocarbon radical peaks" characterized by very high C2H abundances, reaching up to several x10^-7. The high abundance of C2H and of related hydrocarbon radicals, such as CH3, CH2, and CH, can be attributed to gas-phase reactions driven by elevated temperatures, the presence of C+ and C, and the reactivity of FUV-pumped H2. The hydrocarbon radical peaks roughly coincide with maxima of the 3.4/3.3 um AIB intensity ratio, a proxy for the aliphatic-to-aromatic content of PAHs. This implies that the conditions triggering the formation of simple hydrocarbons also favor the formation (and survival) of PAHs with aliphatic side groups, potentially via the contribution of bottom-up processes in which abundant hydrocarbon radicals react in situ with PAHs. Ahead of the DFs, in the atomic PDR zone (where [H]>>[H2]), the AIB emission is the brightest, but small PAHs and carbonaceous grains undergo photo-processing due to the stronger FUV field. Our detection of trace amounts of C2H in this zone may result from the photoerosion of these species. This study provides a spatially resolved view of the chemical stratification of key carbon carriers in a PDR. Overall, both bottom-up and top-down processes appear to link simple hydrocarbon molecules with PAHs in molecular clouds; however, the exact chemical pathways and their relative contributions remain to be quantified.

astro-ph.GA↗
arXiv2024

Hunting pre-stellar cores with APEX: IRAS16293E (Oph464)

Pre-stellar cores are the first steps in the process of star and planet formation. However, the dynamical and chemical evolution of pre-stellar cores is still not well understood. We aim at estimating the central density of the pre-stellar core IRAS16293E and at carrying out an inventory of molecular species towards the density peak of the core. We observed high-$J$ rotational transitions of N$_2$H$^+$ and N$_2$D$^+$, and several other molecular lines towards the dust emission peak using the Atacama Pathfinder EXperiment (APEX) telescope, and derived the density and temperature profiles of the core using far-infrared surface brightness maps from $Herschel$. The N$_2$H$^+$ and N$_2$D$^+$ lines were analysed by non-LTE radiative transfer modelling. Our best-fit core model consists in a static inner region, embedded in an infalling envelope with an inner radius of approximately 3000 au (21" at 141 pc). The observed high-J lines of N$_2$H$^+$ and N$_2$D$^+$ (with critical densities greater than 10$^6$ cm$^{-3}$) turn out to be very sensitive to depletion; the present single-dish observations are best explained with no depletion of N$_2$H$^+$ and N$_2$D$^+$ in the inner core. The N$_2$D$^+$/N$_2$H$^+$ ratio that best reproduces our observations is 0.44, one of the largest observed to date in pre-stellar cores. Additionally, half of the molecules that we observed are deuterated isotopologues, confirming the high-level of deuteration towards this source. Non-LTE radiative transfer modelling of N$_2$H$^+$ and N$_2$D$^+$ lines proved to be an excellent diagnostic of the chemical structure and dynamics of a pre-stellar core. Probing the physical conditions immediately before the protostellar collapse is a necessary reference for theoretical studies and simulations with the aim of understanding the earliest stages of star and planet formation and the time scale of this process.

astro-ph.GA↗
arXiv2023

Collisional excitation of PO$^+$ by $para$-H$_2$

We report the derivation of rate coefficients for the rotational (de-)excitation of PO$^+$ induced by collisions with H$_2$. The calculations were performed on a four-dimensional potential energy surface, obtained on top of highly accurate $ab$ $initio$ energy points. Preliminary tests pointed out the low influence of the coupling between $j=0$ and the higher rotational levels of H$_2$ on the cross sections values, thus allowing to neglect the rotational structure of H$_2$. On this basis, state-to-state collisional rate coefficients were derived for temperatures ranging from 5 to 200 K. Radiative transfer calculations have been used to model the recent observation of PO$^+$ in the G+0.693-0.027 molecular cloud, in order to evaluate the possible impact of non-LTE models on the determination of its physical conditions. The derived column density was found to be approximately $\sim 3.7\times10^{11}$ cm$^{-2}$, which is 60\% (a factor of $\sim 1.7$) smaller than the previously LTE-derived value. Extensive simulations show that PO$^+$ low-$j$ rotational lines exhibit maser behavior at densities between $10^4$ and $10^6$ cm$^{-3}$, thus highlighting the importance of a proper treatment of the molecular collisions to accurately model PO$^+$ emissions in the interstellar medium.

astro-ph.GA↗
arXiv2023

Hyperfine collisional excitation of ammonia by molecular hydrogen

Ammonia is one of the most widely observed molecules in space, and many observations are able to resolve the hyperfine structure due to the electric quadrupole moment of the nitrogen nucleus. The observed spectra often display anomalies in the satellite components of the lines, which indicate substantial deviations from the local thermodynamic equilibrium. The interpretation of the spectra thus requires the knowledge of the rate coefficients for the hyperfine excitation of NH$_3$ induced by collisions with H$_2$ molecules, the dominant collider in the cold interstellar medium. In this paper we present the first such calculations using a recoupling approach. The rate coefficients are obtained for all hyperfine levels within rotation-inversion levels up to $j=4$ and temperatures up to 100 K by means of quantum scattering close-coupling calculations on an accurate, five-dimensional, potential energy surface. We show that the rate coefficients depart significantly from those obtained with the statistical approach and that they do not conform to any simple propensity rules. Finally, we perform radiative transfer calculations to illustrate the impact of our new rate coefficients by modelling the hyperfine line intensities of the inversion transition in ground state para-NH$_3$ ($j_k=1_1$) and of the rotational transition $1_0\rightarrow 0_0$ in ortho-NH$_3$.

astro-ph.GA↗
arXiv2023

Similar levels of deuteration in the pre-stellar core L1544 and the protostellar core HH211

In the centre of pre-stellar cores, deuterium fractionation is enhanced due to the low temperatures and high densities. Therefore, the chemistry of deuterated molecules can be used to study the earliest stages of star formation. We analyse the deuterium fractionation of simple molecules, comparing the level of deuteration in the envelopes of the pre-stellar core L1544 in Taurus and the protostellar core HH211 in Perseus. We used single-dish observations of CCH, HCN, HNC, HCO$^+$, and their $^{13}$C-, $^{18}$O- and D-bearing isotopologues, detected with the Onsala 20m telescope. We derived the column densities and the deuterium fractions of the molecules. Additionally, we used radiative transfer simulations and results from chemical modelling to reproduce the observed molecular lines. We used new collisional rate coefficients for HNC, HN$^{13}$C, DNC, and DCN that consider the hyperfine structure of these molecules. We find high levels of deuteration for CCH (10%) in both sources, consistent with other carbon chains, and moderate levels for HCN (5-7%) and HNC (8%). The deuterium fraction of HCO$^+$ is enhanced towards HH211, most likely caused by isotope-selective photodissociation of C$^{18}$O. Similar levels of deuteration show that the process is likely equally efficient towards both cores, suggesting that the protostellar envelope still retains the chemical composition of the original pre-stellar core. The fact that the two cores are embedded in different molecular clouds also suggests that environmental conditions do not have a significant effect on the deuteration within dense cores. Radiative transfer modelling shows that it is necessary to include the outer layers of the cores to consider the effects of extended structures. Besides HCO$^+$ observations, HCN observations towards L1544 also require the presence of an outer diffuse layer where the molecules are relatively abundant.

astro-ph.GA↗
arXiv2022

Linking the dust and chemical evolution: Taurus and Perseus -- New collisional rates for HCN, HNC, and their C, N, and H isotopologues

HCN, HNC, and their isotopologues are ubiquitous molecules that can serve as chemical thermometers and evolutionary tracers to characterize star-forming regions. Despite their importance in carrying information that is vital to studies of the chemistry and evolution of star-forming regions, the collision rates of some of these molecules have not been available for rigorous studies in the past. We perform an up-to-date gas and dust chemical characterization of two different star-forming regions, TMC 1-C and NGC 1333-C7, using new collisional rates of HCN, HNC, and their isotopologues. We investigated the possible effects of the environment and stellar feedback in their chemistry and their evolution. With millimeter observations, we derived their column densities, the C and N isotopic fractions, the isomeric ratios, and the deuterium fractionation. The continuum data at 3 mm and 850 $\mu$m allowed us to compute the emissivity spectral index and look for grain growth as an evolutionary tracer. The H$^{13}$CN/HN$^{13}$C ratio is anticorrelated with the deuterium fraction of HCN, thus it can readily serve as a proxy for the temperature. The spectral index $(\beta\sim 1.34-2.09)$ shows a tentative anticorrelation with the H$^{13}$CN/HN$^{13}$C ratio, suggesting grain growth in the evolved, hotter, and less deuterated sources. Unlike TMC 1-C, the south-to-north gradient in dust temperature and spectral index observed in NGC 1333-C7 suggests feedback from the main NGC 1333 cloud. With this up-to-date characterization of two star-forming regions, we found that the chemistry and the physical properties are tightly related. The dust temperature, deuterium fraction, and the spectral index are complementary evolutionary tracers. The large-scale environmental factors may dominate the chemistry and evolution in clustered star-forming regions.

astro-ph.GA↗
arXiv2022

The effect of water and electron collisions in the rotational excitation of HF in comets

We present the first set of rate coefficients for the rotational excitation of the 7 lowest levels of hydrogen fluoride (HF) induced by collision with water molecules, the dominant collider in cometary comas, in the 5-150 K temperature range. The calculations are performed with a quantum statistical approach from an accurate rigid rotor ab initio interaction potential. Rate coefficients for excitation of HF by electron-impact are also computed, within the Born approximation, in the 10-10,000 K temperature range. These rate coefficients are then used in a simplified non-local thermodynamic equilibrium (non-LTE) model of a cometary coma that also includes solar radiative pumping and radiative decay. We investigate the range of H2O densities that lead to non-LTE populations of the rotational levels of HF. We show that to describe the excitation of HF in comets, considering collisions with both water molecules and electrons is needed as a result of the large dipole of HF.

astro-ph.EP↗
arXiv2022

Tracing the contraction of the pre-stellar core L1544 with HC$^{17}$O$^+$ $J$ = 1-0 emission

Spectral line profiles of several molecules observed towards the pre-stellar core L1544 appear double-peaked. For abundant molecular species this line morphology has been linked to self-absorption. However, the physical process behind the double-peaked morphology for less abundant species is still under debate. In order to understand the cause behind the double-peaked spectra of optically thin transitions and their link to the physical structure of pre-stellar cores, we present high-sensitivity and high-spectral resolution HC$^{17}$O$^+$ $J =$1-0 observations towards the dust peak in L1544. We observed the HC$^{17}$O$^+$ (1-0) spectrum with the Institut de Radioastronomie Millim\'etrique (IRAM) 30m telescope. By using new state-of-the-art collisional rate coefficients, a physical model for the core and the fractional abundance profile of HC$^{17}$O$^+$, the hyperfine structure of this molecular ion is modelled for the first time with the radiative transfer code LOC applied to the predicted chemical structure of a contracting pre-stellar core. We applied the same analysis to the chemically related C$^{17}$O molecule. The observed HC$^{17}$O$^+$(1-0) and C$^{17}$O(1-0) lines have been successfully reproduced with a non-local thermal equilibrium (LTE) radiative transfer model applied to chemical model predictions for a contracting pre-stellar core. An upscaled velocity profile (by 30%) is needed to reproduce the HC$^{17}$O$^+$(1-0) observations. The double peaks observed in the HC$^{17}$O$^+$(1-0) hyperfine components are due to the contraction motions at densities close to the critical density of the transition ($\sim$10$^{5}$ cm$^{-3}$) and to the fact that the HCO$^{+}$ fractional abundance decreases toward the centre.

astro-ph.GA↗
arXiv2022

A SUBLIME 3D Model for Cometary Coma Emission: the Hypervolatile-Rich Comet C/2016 R2 (PanSTARRS)

The coma of comet C/2016 R2 (PanSTARRS) is one of the most chemically peculiar ever observed, in particular due to its extremely high CO/H2O and N2+/H2O ratios}, and unusual trace volatile abundances. However, the complex shape of its CO emission lines, as well as uncertainties in the coma structure and excitation, has lead to ambiguities in the total CO production rate. We performed high resolution, spatially, spectrally and temporally resolved CO observations using the James Clerk Maxwell Telescope (JCMT) and Submillimeter Array (SMA) to elucidate the outgassing behaviour of C/2016 R2. Results are analyzed using a new, time-dependent, three dimensional radiative transfer code (SUBLIME), incorporating for the first time, accurate state-to-state collisional rate coefficients for the CO--CO system. The total CO production rate was found to be in the range $(3.8-7.6)\times10^{28}$ s$^{-1}$ between 2018-01-13 and 2018-02-01, with a mean value of $(5.3\pm0.6)\times10^{28}$ s$^{-1}$ at r_H = 2.8-2.9 au. The emission is concentrated in a near-sunward jet, with an outflow velocity $0.51\pm0.01$ km/s, compared to $0.25\pm0.01$ km/s in the ambient (and night-side) coma. Evidence was also found for an extended source of CO emission, possibly due to icy grain sublimation around $1.2\times10^5$ km from the nucleus. Based on the coma molecular abundances, we propose that the nucleus ices of C/2016 R2 can be divided into a rapidly sublimating apolar phase, rich in CO, CO2, N2 and CH3OH, and a predominantly frozen (or less abundant), polar phase containing more H2O, CH4, H2CO and HCN.

astro-ph.EP↗
arXiv2022

An improved study of HCO+ and He system: interaction potential, collisional relaxation and pressure broadening

In light of its ubiquitous presence in the interstellar gas, the chemistry and reactivity of the HCO+ ion requires special attention. The availability of up-to-date collisional data between this ion and the most abundant perturbing species in the interstellar medium is a critical resource in order to derive reliable values of its molecular abundance from astronomical observations. This work intends to provide improved scattering parameters for the HCO+ and He collisional system. We have tested the accuracy of explicitly correlated coupled-cluster methods for mapping the short- and long-range multi-dimensional potential energy surface of atom-ion systems. A validation of the methodology employed for the calculation of the potential well has been obtained from the comparison with experimentally derived bound-state spectroscopic parameters. Finally, by solving the close-coupling scattering equations, we have derived the pressure broadening and shift coefficients for the first six rotational transitions of HCO+ as well as inelastic state-to-state transition rates up to j = 5 in the 5-100 K temperature interval.

astro-ph.GA↗
arXiv2021

Collisional excitation and non-LTE modelling of interstellar chiral propylene oxide

The first set of theoretical cross sections for propylene oxide (CH3CHCH2O) colliding with cold He atoms has been obtained at the full quantum level using a high-accuracy potential energy surface. By scaling the collision reduced mass, rotational rate coefficients for collisions with para-H2 are deduced in the temperature range 5-30 K. These collisional coefficients are combined with radiative data in a non-LTE radiative transfer model in order to reproduce observations of propylene oxide made towards the Sagittarius B2(N) molecular cloud with the Green Bank and Parkes radio telescopes. The three detected absorption lines are found to probe the cold (~ 10 K) and translucent (nH ~ 2000 cm-3) gas in the outer edges of the extended Sgr B2(N) envelope. The derived column density for propylene oxide is Ntot ~ 3e12 cm-2, corresponding to a fractional abundance relative to total hydrogen of ~ 2.5e-11. The present results are expected to help our understanding of the chemistry of propylene oxide, including a potential enantiomeric excess, in the cold interstellar medium.

astro-ph.GA↗
arXiv2021

Sulfur gas-phase abundance in dense cores

The abundance of volatile sulfur in dense clouds is long-standing problem in studies of the physics and chemistry of star-forming regions. Sulfur is an important species because its low ionization potential may possibly make it an important charge carrier. The observed sulfur-bearing species in the gas-phase of dense clouds represent only a minor fraction of the cosmic sulfur abundance, which has been interpreted as a signature of sulfur depletion into ices at the surface of dust grains. However, atomic sulfur, which could be the main gas-phase carrier, cannot be observed directly in cold cores. We present measurements of the nitrogen sulfide (NS) radical toward four dense cores performed with the IRAM-30m telescope. Analytical chemical considerations and chemical models over a wide parameter space show that the NS:N2H+ abundance ratio provides a direct constraint on the abundance of gas-phase atomic sulfur. Toward early-type cores, we find that $n(\rm S)/n_{\rm H}$ is close, or even equal, to the cosmic abundance of sulfur, 14$\times 10^{-6}$, demonstrating that sulfur is not depleted and is atomic, which is in agreement with chemical models. More chemically evolved cores show sulfur depletion by factors up to 100 in their densest parts. In L1544, atomic sulfur depletion is shown to increase with increasing density. Future observations are needed to discover the solid-phase carrier of sulfur. The initial steps of the collapse of pre-stellar cores in the high sulfur abundance regime also need to be explored from their chemical and dynamical perspectives.

astro-ph.GA↗
arXiv2021

Anomalous HCN emission from warm giant molecular clouds

HCN is considered a good tracer of the dense molecular gas that serves as fuel for star formation. However, recent large-scale surveys of giant molecular clouds (GMCs) have detected extended HCN line emission. Such observations often resolve the HCN J=1-0 hyperfine structure (HFS). A precise determination of the physical conditions of the gas requires treating the HFS line overlap effects. Here, we study the HCN HFS excitation and line emission using nonlocal radiative transfer models that include line overlaps and new HFS-resolved collisional rate coefficients for inelastic collisions of HCN with both para-H2 and ortho-H2 (computed via the scaled-IOS approximation up to Tk=500 K). In addition, we account for the role of electron collisions in the HFS level excitation. We find that line overlap and opacity effects frequently produce anomalous HCN J=1-0 HFS line intensity ratios (inconsistent with the common assumption of the same Tex for all HFS lines) as well as anomalous HFS line width ratios. Line overlap and electron collisions also enhance the excitation of the higher J rotational lines. Electron excitation becomes important for molecular gas with H2 densities below a few 10^5 cm-3 and electron abundances above ~10^-5. In particular, electron excitation can produce low-surface-brightness HCN emission from very extended but low-density gas in GMCs. The existence of such a widespread HCN emission component may affect the interpretation of the extragalactic relationship HCN luminosity versus star-formation rate. Alternatively, extended HCN emission may arise from dense star-forming cores and become resonantly scattered by large envelopes of lower density gas. There are two scenarios - namely, electron-assisted (weakly) collisionally excited versus scattering - that lead to different HCN J=1-0 HFS intensity ratios, which can be tested on the basis of observations.

astro-ph.GA↗
arXiv2020

Deuterium fractionation of nitrogen hydrides: detections of NHD and ND$_2$

Although ammonia is an abundant molecule commonly observed towards the dense interstellar medium, it has not yet been established whether its main formation route is from gas-phase ion-molecule reactions or grain-surface hydrogen additions on adsorbed nitrogen atoms. Deuterium fractionation can be used as a tool to constrain formation mechanisms. High abundances of deuterated molecules are routinely observed in the dense interstellar medium, with the ratio between deuterated molecules and the main isotopologue enhanced by several orders of magnitude with respect to the elemental D/H ratio. In the case of ammonia, the detection of its triply deuterated isotopologue hints at high abundances of the deuterated intermediate nitrogen radicals, ND, NHD and ND$_2$. So far however, only ND has been detected in the interstellar medium. In this paper, to constrain the formation of ammonia, we aim at determining the NHD/NH$_2$ and ND$_2$/NHD abundance ratios, and compare them with the predictions of both pure gas-phase and grain-surface chemical models. We searched for the fundamental rotational transitions of NHD and ND$_2$ towards the class 0 protostar IRAS16293-2422, towards which NH, NH$_2$ and ND had been previously detected. Both NHD and ND$_2$ are detected in absorption towards the source. The relative abundance ratios NH$_2$ : NHD : ND$_2$ are close to 8 : 4 : 1. These ratios can be reproduced by our gas-phase chemical model within a factor of two-three. Statistical ratios as expected from grain-surface chemistry are also consistent with our data. Further investigations of the ortho-to-para ratio in ND$_2$ , both theoretical and observational, could bring new constraints to better understand nitrogen hydride chemistry.

astro-ph.GA↗
arXiv2020

The effect of CO-H2O collisions in the rotational excitation of cometary CO

We present the first accurate rate coefficients for the rotational excitation of CO by H2O in the kinetic temperature range 5-100 K. The statistical adiabatic channel method (SACM) is combined with a high-level rigid-rotor CO-H2O intermolecular potential surface. Transitions among the first 11 rotational levels of CO and the first 8 rotational levels of both para-H2O and ortho-H2O are considered. Our rate coefficients are compared to previous data from the literature and they are also incorporated in a simple non-LTE model of cometary coma including collision-induced transitions, solar radiative pumping and radiative decay. We find that the uncertainties in the collision data have significant influence on the CO population distribution for H2O densities in the range 10^3-10^8 cm^-3. We also show that the rotational distribution of H2O plays an important role in CO excitation (owing to correlated energy transfer in both CO and H2O), while the impact of the ortho-to-para ratio of H2O is found to be negligible.

astro-ph.EP↗