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Galactic cosmic rays (CRs) play a crucial role in ionisation, dissociation, and excitation processes within dense cloud regions where UV radiation is absorbed by dust grains and gas species. CRs regulate the abundance of ions and radicals, leading to the formation of more and more complex molecular species, and determine the charge distribution on dust grains. A quantitative analysis of these effects is essential for understanding the dynamical and chemical evolution of star-forming regions. The CR-induced photon flux has a significant impact on the evolution of the dense molecular medium in its gas and dust components. This study evaluates the flux of UV photons generated by CRs to calculate the photon-induced dissociation and ionisation rates of a vast number of atomic and molecular species, as well as the integrated UV photon flux. To achieve these goals, we took advantage of recent developments in the determination of the spectra of secondary electrons, in the calculation of state-resolved excitation cross sections of H2 by electron impact, and of photodissociation and photoionisation cross sections. We calculated the H2 level population of each rovibrational level of the $X,B,C,B^ prime D^ and $a$ states. We then computed the UV photon spectrum of H2 in its line and continuum components between 72 and 700 nm, with unprecedented accuracy, as a function of the CR spectrum incident on a molecular cloud, the H2 column density, the isomeric H2 composition, and the dust properties. The resulting photodissociation and photoionisation rates are, on average, lower than previous determinations by a factor of about 2, with deviations of up to a factor of 5 for the photodissociation of species such as AlH C2H2 C2H3 C3H3 LiH N2 NaCl NaH O2+ S2+ SiH l-C4 and l-C5H . A special focus is given to the photoionisation rates of H2 HF and N2 as well as to the photodissociation of H2 which we find to be orders of magnitude higher than previous estimates. We give parameterisations for both the photorates and the integrated UV photon flux as a function of the CR ionisation rate, which implicitly depends on the H2 column density, as well as the dust properties.
Galactic cosmic rays (CRs) play a crucial role in ionisation, dissociation, and excitation processes within dense cloud regions where UV radiation is absorbed by dust grains and gas species. CRs regulate the abundance of ions and radicals, leading to the formation of more and more complex molecular species, and determine the charge distribution on dust grains. A quantitative analysis of these effects is essential for understanding the dynamical and chemical evolution of star-forming regions. The CR-induced photon flux has a significant impact on the evolution of the dense molecular medium in its gas and dust components. This study evaluates the flux of UV photons generated by CRs to calculate the photon-induced dissociation and ionisation rates of a vast number of atomic and molecular species, as well as the integrated UV photon flux. To achieve these goals, we took advantage of recent developments in the determination of the spectra of secondary electrons, in the calculation of state-resolved excitation cross sections of H2 by electron impact, and of photodissociation and photoionisation cross sections. We calculated the H2 level population of each rovibrational level of the $X,B,C,B^ prime D^ and $a$ states. We then computed the UV photon spectrum of H2 in its line and continuum components between 72 and 700 nm, with unprecedented accuracy, as a function of the CR spectrum incident on a molecular cloud, the H2 column density, the isomeric H2 composition, and the dust properties. The resulting photodissociation and photoionisation rates are, on average, lower than previous determinations by a factor of about 2, with deviations of up to a factor of 5 for the photodissociation of species such as AlH C2H2 C2H3 C3H3 LiH N2 NaCl NaH O2+ S2+ SiH l-C4 and l-C5H . A special focus is given to the photoionisation rates of H2 HF and N2 as well as to the photodissociation of H2 which we find to be orders of magnitude higher than previous estimates. We give parameterisations for both the photorates and the integrated UV photon flux as a function of the CR ionisation rate, which implicitly depends on the H2 column density, as well as the dust properties.
Electron-molecule interaction is a fundamental process in radiation-driven chemistry in space, from the interstellar medium to comets. Therefore, knowledge of interaction cross sections is key. There have been a plethora of both theoretical and experimental studies of total ionization cross sections spanning from diatomics to complex organics. However, the data are often spread over many sources or are not public or readily available. We introduce the Astrochemistry Low-energy Electron cross-section (ALeCS) database. This is a public database for electron interaction cross sections and ionization rates for molecules of astrochemical interest. In particular, we present here the first data release, comprising total ionization cross sections and ionization rates for over 200 neutral molecules. We include optimized geometries and molecular orbital energies at various levels of quantum chemistry theory. Furthermore, for a subset of the molecules, we have calculated ionization potentials. We computed the total ionization cross sections using the binary-encounter Bethe model and screening-corrected additivity rule, and we computed ionization rates and reaction network coefficients for molecular cloud environments. We present the cross sections and reaction rates for $>$200 neutral molecules ranging from diatomics to complex organics, with the largest being C14H10 . We find that the screening-corrected additivity rule cross sections generally significantly overestimate experimental total ionization cross sections. We demonstrate that our binary-encounter Bethe cross sections agree well with experimental data. We show that the ionization rates scale roughly linearly with the number of constituent atoms in the molecule. We introduce and describe the public ALeCS database. For the initial release, we include total ionization cross sections for $>$200 neutral molecules and several cations and anions calculated with different levels of quantum chemistry theory, the chemical reaction rates for the ionization, and network files in the formats of the two most popular astrochemical networks: the Kinetic Database for Astrochemistry, and UMIST. The database will be continuously updated for more molecules and interactions.
Cosmic rays are a key component of the interstellar medium because they regulate the dynamics and chemical processes in the densest and coldest regions of molecular clouds. Still, the cosmic-ray ionisation rate of H$_2$ (crir ) is one of the most debated parameters characterising molecular clouds because of the uncertainties in the adopted chemical networks and analysis techniques. This work aims to homogeneously estimate the crir at parsec scales towards the Orion Molecular Clouds OMC-2 and OMC-3. We explore the change in crir across a whole star-forming region by probing a range of column densities taht has never been explored before. The significant increase in statistics obtained by studying an entire region allows us to place stronger constraints on the range of crir values and exploit its connection with the physical properties of the interstellar medium. The most recent crir estimates are based on o$-$H$_2$D$^+$, which is a direct product of the interaction between cosmic rays and H$_2$ in cold clouds. Since observations of o$-$H$_2$D$^+$ are challenging, we proxy its abundance through CO depletion by employing C18O (2$-$1) observations towards OMC-2 and OMC-3, taking advantage of the existing correlation between the two parameters. Using additional observations of HCO$^+$ (1$-$0) and DCO$^+$ (3$-$2), we determine the deuteration fraction, and we finally derive the map of crir in these two regions. The C18O depletion correlates with both the total column density of H$_2$ and the N$_2$H$^+$ emission across OMC-2 and OMC-3. The obtained depletion factors and deuteration fractions are consistent with previous values obtained in low- and high-mass star-forming regions. These two parameters additionally show a positive correlation in the coldest fields of our maps. We derive cosmic-ray ionisation rates of $ $ s$^ $. These values agree well with previous estimates based on o$-$H$_2$D$^+$ observations. The crir also shows a functional dependence on the column density of H$_2$ across a full order of magnitude ($ $ cm$^ $). The estimated values of crir decrease overall for increasing $N( H_2 $), as predicted by theoretical models. The results delivered by our approach are comparable with theoretical predictions and previous independent studies. This confirms the robustness of the analytical framework and promotes CO depletion as a viable proxy of o$-$H$_2$D$^+$. We also explore the main limitations of the method by varying the physical size of the gas crossed by the cosmic rays (i.e. the path length). By employing a path length obtained from low-resolution observations, we recover values of the crir that are well below any existing theoretical and observational prediction. This discrepancy highlights the need for interferometric observations in order to reliably constrain the crir at parsec scales as well.
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