No Arabic abstract
Aims. Excitation of far-infrared and submillimetric molecular lines may originate from nonreactive collisions, chemical formation, or far infrared, near-infrared, and optical fluorescences. As a template, we investigate the impact of each of these processes on the excitation of the methylidyne cation CH+ and on the intensities of its rotational transitions recently detected in emission in dense photodissociation regions (PDRs) and in planetary nebulae. Methods. We have developed a nonlocal thermodynamic equilibrium (non-LTE) excitation model that includes the entire energy structure of CH+, i.e. taking into account the pumping of its vibrational and bound and unbound electronic states by near-infrared and optical photons. The model includes the theoretical cross-sections of nonreactive collisions with H, H2, He, and e-, and a Boltzmann distribution is used to describe the probability of populating the excited levels of CH+ during its chemical formation by hydrogenation of C+. To confirm our results we also performed an extensive analytical study, which we use to predict the main excitation process of several diatomic molecules, namely HF, HCl, SiO, CS, and CO. Results. At densities nH = 10^4 cm-3, the excitation of the rotational levels of CH+ is dominated by the radiative pumping of its electronic, vibrational, and rotational states if the intensities of the radiation field at sim 0.4, sim 4, and sim 300 mum are stronger than 10^5, 10^8, and 10^4 times those of the local interstellar radiation field (ISRF). Below these values, the chemical pumping is the dominant source of excitation of the J > 1 levels, even at high kinetic temperatures (sim 1000 K). The far-infrared emission lines of CH+ observed in the Orion Bar and the NGC 7027 PDRs are consistent with the predictions of our excitation model assuming an incident far-ultraviolet (FUV) radiation field of sim 3 times 10^4 (in Draines unit) and densities of sim 5 times 10^4 and sim 2 times 10^5 cm-3. In the case of NGC 7027, the estimate of the density is 10 to 100 times lower than those deduced by traditional excitation codes. Applying our model to other X1Sigma+ ground state diatomic molecules, we find that HF, and SiO and HCl are the species the most sensitive to the radiative pumping of their vibrational and bound electronic states. In both cases, the minimal near-infrared and optical/UV radiation field intensities required to modify their rotational level populations are sim 10^3 times those of the local ISRF at densities nH = 10^4 cm-3. All these results point towards interstellar and circumstellar media with densities lower than previously established and cast doubts on the clumpiness of well-studied molecular clouds.
We present a detailed theoretical study of the rotational excitation of CH$^+$ due to reactive and nonreactive collisions involving C$^+(^2P)$, H$_2$, CH$^+$, H and free electrons. Specifically, the formation of CH$^+$ proceeds through the reaction between C$^+(^2P)$ and H$_2( u_{rm H_2}=1, 2)$, while the collisional (de)excitation and destruction of CH$^+$ is due to collisions with hydrogen atoms and free electrons. State-to-state and initial-state-specific rate coefficients are computed in the kinetic temperature range 10-3000~K for the inelastic, exchange, abstraction and dissociative recombination processes using accurate potential energy surfaces and the best scattering methods. Good agreement, within a factor of 2, is found between the experimental and theoretical thermal rate coefficients, except for the reaction of CH$^+$ with H atoms at kinetic temperatures below 50~K. The full set of collisional and chemical data are then implemented in a radiative transfer model. Our Non-LTE calculations confirm that the formation pumping due to vibrationally excited H$_2$ has a substantial effect on the excitation of CH$^+$ in photon-dominated regions. In addition, we are able to reproduce, within error bars, the far-infrared observations of CH$^+$ toward the Orion Bar and the planetary nebula NGC~7027. Our results further suggest that the population of $ u_{rm H_2}=2$ might be significant in the photon-dominated region of NGC~7027.
We discuss the detection of 14 rovibrational lines of CH$^+$, obtained with the iSHELL spectrograph on NASAs Infrared Telescope Facility (IRTF) on Maunakea. Our observations in the 3.49 - 4.13 $mu$m spectral region, obtained with a 0.375 slit width that provided a spectral resolving power $lambda/Delta lambda sim 80,000$, have resulted in the unequivocal detection of the $R(0) - R(3)$ and $P(1)-P(10)$ transitions within the $v=1-0$ band of CH$^+$. The $R$-branch transitions are anomalously weak relative to the $P$-branch transitions, a behavior that is explained accurately by rovibronic calculations of the transition dipole moment reported in a companion paper (Changala et al. 2021). Nine infrared transitions of H$_2$ were also detected in these observations, comprising the $S(8)$, $S(9)$, $S(13)$ and $S(15)$ pure rotational lines; the $v=1-0$ $O(4) - O(7)$ lines, and the $v=2-1$ $O(5)$ line. We present a photodissociation region model, constrained by the CH$^+$ and H$_2$ line fluxes that we measured, that includes a detailed treatment of the excitation of CH$^+$ by inelastic collisions, optical pumping, and chemical (formation) pumping. The latter process is found to dominate the excitation of the observed rovibrational lines of CH$^+$, and the model is remarkably successful in explaining both the absolute and relative strengths of the CH$^+$ and H$_2$ lines.
We present a theoretical calculation of the influence of ultraviolet radiative pumping on the excitation of the rotational levels of the ground vibrational state for HD molecules under conditions of the cold diffuse interstellar medium (ISM). Two main excitation mechanisms have been taken into account in our analysis: (i) collisions with atoms and molecules and (ii) radiative pumping by the interstellar ultraviolet (UV) radiation field. The calculation of the radiative pumping rate coefficients $Gamma_{rm ij}$ corresponding to Dranes model of the field of interstellar UV radiation, taking into account the self-shielding of HD molecules, is performed. We found that the population of the first HD rotational level ($J = 1$) is determined mainly by radiative pumping rather than by collisions if the thermal gas pressure $p_{rm th}le10^4left(frac{I_{rm{UV}}}{1}right),mbox{K,cm}^{-3}$ and the column density of HD is lower than $log N({rm{HD}})<15$. Under this constraint the populations of rotational levels of HD turns out to be as well a more sensitive indicator of the UV radiation intensity than the fine-structure levels of atomic carbon. We suggest that taking into account radiative pumping of HD rotational levels may be important for the problem of the cooling of primordial gas at high redshift: ultraviolet radiation from first stars can increase the rate of HD cooling of the primordial gas in the early Universe.
Here we introduce GAMESH, a novel pipeline which implements self-consistent radiative and chemical feedback in a computational model of galaxy formation. By combining the cosmological chemical-evolution model GAMETE with the radiative transfer code CRASH, GAMESH can post process realistic outputs of a N-body simulation describing the redshift evolution of the forming galaxy. After introducing the GAMESH implementation and its features, we apply the code to a low-resolution N-body simulation of the Milky Way formation and we investigate the combined effects of self-consistent radiative and chemical feedback. Many physical properties, which can be directly compared with observations in the Galaxy and its surrounding satellites, are predicted by the code along the merger-tree assembly. The resulting redshift evolution of the Local Group star formation rates, reionisation and metal enrichment along with the predicted Metallicity Distribution Function of halo stars are critically compared with observations. We discuss the merits and limitations of the first release of GAMESH, also opening new directions to a full implementation of feedback processes in galaxy formation models by combining semi-analytic and numerical methods.
N-methylformamide, CH3NHCHO, may be an important molecule for interstellar pre-biotic chemistry because it contains a peptide bond. The rotational spectrum of the most stable trans conformer of CH3NHCHO is complicated by strong torsion-rotation interaction due to the low barrier of the methyl torsion. We use two absorption spectrometers in Kharkiv and Lille to measure the rotational spectra over 45--630 GHz. The analysis is carried out using the Rho-axis method and the RAM36 code. We search for N-methylformamide toward the hot molecular core Sgr B2(N2) using a spectral line survey carried out with ALMA. The astronomical results are put into a broader astrochemical context with the help of a gas-grain chemical kinetics model. The laboratory data set for the trans conformer of CH3NHCHO consists of 9469 line frequencies with J <= 62, including the first assignment of the rotational spectra of the first and second excited torsional states. All these lines are fitted within experimental accuracy. We report the tentative detection of CH3NHCHO towards Sgr B2(N2). We find CH3NHCHO to be more than one order of magnitude less abundant than NH2CHO, a factor of two less abundant than CH3NCO, but only slightly less abundant than CH3CONH2. The chemical models indicate that the efficient formation of HNCO via NH + CO on grains is a necessary step in the achievement of the observed gas-phase abundance of CH3NCO. Production of CH3NHCHO may plausibly occur on grains either through the direct addition of functional-group radicals or through the hydrogenation of CH3NCO. Provided the detection of CH3NHCHO is confirmed, the only slight underabundance of this molecule compared to its more stable structural isomer acetamide and the sensitivity of the model abundances to the chemical kinetics parameters suggest that the formation of these two molecules is controlled by kinetics rather than thermal equilibrium.