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The cyclic form of magnesium dicarbide molecule (c-MgC |$_2$|⁠) has been detected in the carbon-rich circumstellar envelope of IRC+10216 and is considered as a valuable tracer for characterizing the physical conditions of the surrounding gas. In order to make the most of c-MgC |$_2$| observations and accurately derive the physical conditions of the media where c-MgC |$_2$| is detected, radiative transfer modelling, including collisional and radiative (de-)excitations, have to be performed. Here, we study the excitation of c-MgC |$_{2}$| induced by collisions with He (as a proxy for H |$_2$|⁠). A new 3D potential energy surface (PES) is constructed using highly correlated ab initio methods. This PES reveals a minimum with a well depth of 20.66 cm |$^{-1}$| below the c-MgC |$_2$| -He dissociation limit. Using this PES, we compute excitation cross sections for transitions between the low-lying rotational energy levels of c-MgC |$_2$| using the time-independent quantum mechanical close-coupling formalism. These cross sections are then thermally averaged over a Boltzmann energy distribution in order to derive excitation rate coefficients at low temperatures (⁠|$T \le 30$|  K). To evaluate the impact of these new rate coefficients on the interpretation of c-MgC |$_2$| observational spectra, we perform radiative transfer calculations. We find that a very high gas density (⁠|$n \gt 10^6$| cm |$^{-3}$|⁠) is needed in order for the collisional excitation to compete with the radiative de-excitation. We also find that the excitation temperatures of the observed lines predicted by our model differ by a factor two from the value derived from the observations in IRC+10216 circumstellar envelope, indicating that the excitation of c-MgC |$_{2}$| may also be driven by a strong radiative pumping in such media. Therefore, a more sophisticated non-LTE modelling, that takes into account the collisional and radiative excitations as well as the radiative pumping, is required to accurately interpret the observational spectra of c-MgC |$_2$|⁠. [ABSTRACT FROM AUTHOR]

Tricarbon and pentacarbon monoxides have been detected towards the Taurus Molecular Cloud (TMC-1) with relatively important abundances. Understanding the chemical formation of these molecules requires interpreting their observational spectra by mean of non-local thermodynamical equilibrium modelling. For this purpose, we report rate coefficients of  C3O and  C5O induced by collision with He for temperatures up to 100 K. These data are obtained by calculating inelastic cross sections for the 31 low-lying rotational levels of  C3O and  C5O using the close-coupling approach. The comparison of the new rate coefficients with those of HC3N and HC5N, previously used to interpret the observational spectra of  C3O and  C5O, reveals differences of up to an order of magnitude. The effect of the new collisional rate coefficients in radiative transfer calculations is checked by computing the excitation temperatures for some transitions and simulating the  C3O and  C5O column densities observed towards TMC-1. Our findings suggest that the use of HC n N as template for C n O may lead to local thermodynamic equilibrium conditions for gas densities as low as ∼103  cm−3. Regarding the interpretation of the observational spectra, using radiative transfer modelling based on the actual C n O collisional rate coefficients instead of rotational diagram analysis leads to underestimate the column densities reported in the literature by up to 25 per cent and accordingly the  C3O/ C5O abundance ratio by up to 50 per cent. We expect that the new rate coefficients and the radiative transfer calculations presented in this work will encourage further modellings of the C n O abundance and accordingly constrain the chemistry. [ABSTRACT FROM AUTHOR]

The recent detections of CNCN and HNCCN+ are seen as further evidence of the large abundance of NCCN in the interstellar medium. The accurate determination of the abundance of these chemically related compounds from the observational spectra requires the prior calculation of collisional rate coefficients. In this work, we aimed at computing hyperfine resolved rate coefficients for the CNCN–He collisional system. First, we determined a new potential energy surface for the CNCN–He van der Waals complex from which we computed rotationally resolved excitation cross-sections for energies up to 800 cm−1 using the quantum mechanical close-coupling approach. Then, hyperfine resolved transitions between the 30 low-lying pure rotational levels of CNCN were computed for temperatures ranging from 5 to 150 K using an improved infinite order sudden approach. The analysis of the scattering results showed a propensity rule in favour of Δ j  = Δ F 1 = Δ F for the hyperfine transitions and a slight dominance of the odd Δ j transitions. Using these data, we carried out non-LTE radiative transfer calculations to simulate the excitation of CNCN in molecular clouds and to constrain the physical conditions of cold dark clouds. Preliminary results showed that the abundance of CNCN derived from observational spectra has to be revisited using these new collisional data. [ABSTRACT FROM AUTHOR]