The UMIST Database for Astrochemistry 2022

Abstract

Context. Detailed astrochemical models are a key component to interpret the observations of interstellar and circumstellar molecules since they allow important physical properties of the gas and its evolutionary history to be deduced. Aims. We update one of the most widely used astrochemical databases to reflect advances in experimental and theoretical estimates of rate coefficients and to respond to the large increase in the number of molecules detected in space since our last release in 2013. Methods. We present the sixth release of the UMIST Database for Astrochemistry (UDfA), a major expansion of the gas-phase chemistry that describes the synthesis of interstellar and circumstellar molecules. Since our last release, we have undertaken a major review of the literature which has increased the number of reactions by over 40% to a total of 8767 and increased the number of species by over 55% to 737. We have made a particular attempt to include many of the new species detected in space over the past decade, including those from the QUIJOTE and GOTHAM surveys, as well as providing references to the original data sources. Results. We use the database to investigate the gas-phase chemistries appropriate to both O-rich and C-rich conditions in TMC-1 and to the circumstellar envelope of the C-rich AGB star IRC+10216 and identify successes and failures of gas-phase only models. Conclusions. This update is a significant improvement to the UDfA database. For both the dark cloud and C-rich circumstellar envelope models, calculations match around 60% of the abundances of observed species to within an order of magnitude. There are a number of detected species, however, that are not included in the model either because their gas-phase chemistry is unknown or because they are likely formed via surface reactions on icy grains. Future laboratory and theoretical work is needed to include such species in reaction networks.

Discovery of Thionylimide, HNSO, in Space: The first N-, S-, and O-bearing Interstellar Molecule

“…Although HNSO could be a link between N-, S-, and O-interstellar chemistry, this species is missing in commonly used chemical networks, such as the Kinetic Database for Astrochemistry 12 or in the UMIST Database for Astrochemistry (Millar et al 2024). Therefore, further effort is required to account for the formation of NSO compounds, which will contribute to achieve a better agreement between observations and chemical models of S-, N-, and O-bearing species.…”

Deep Search for Phosphine in a Prestellar Core

“…Our gas-ice chemical network is based on that of Garrod (2013) with some modifications to the P chemical network as explained below. The gas phase chemical network relevant to PH 3 is updated referring to previous studies (Charnley & Millar 1994;García de la Concepción et al 2021;Fernández-Ruz et al 2023;Gomes et al 2023;Millar et al 2024). As the surface chemical network relevant to PH 3 , we consider a sequence of hydrogenation addition reactions of atomic P to form PH 3 and the hydrogen abstraction reaction from PH 3 by atomic H (Nguyen et al 2020).…”

Stimulated radiative association of sodium and chlorine atoms and their ions in a coupled channel treatment

“…[12][13][14][15][16][17][18][19][20][21][22][23][24][25] Little is known about the formation of NaCl. 26 In our previous work, making use of the detailed diabatic picture with coupling, we studied the spontaneous radiative association to form NaCl [27][28][29] and also the non-radiative charge transfer, i.e., chemiionisation and mutual neutralisation. 29 However, the ever-present radiation field provides a permanent source of radiation which by stimulating the radiative processes could significantly enhance the corresponding rates.…”