A pioneer of Open Science in astronomy, the UMIST Database for Astrochemistry (UDfA) has recently released its sixth iteration and now contains 8,767 gas-phase chemical reactions — involving 737 chemical species — and their reaction rate coefficients. This is an increase of more than 40% in comparison to the previous version, released in 2013. The growth reflects the number of reaction rates measured in laboratories and calculated analytically or with computer software published in the refereed literature in the period 2013–2022. Much of the increase has been driven by the detection of scores of new species in extensive observational sub-millimetre surveys of molecule-rich astronomical regions, such as QUIJOTE and GOTHAM. Newly added molecules include the long carbon-chain molecule HC₁₁N, the surprisingly abundant hydrocarbon propargyl (CH₂CCH), a suite of sulfur-bearing hydrocarbons such as HC₄S, phosphine (PH₃) and methyl chloride (CH₃Cl).

As well as presenting the updates to the database, the paper provides three case studies: oxygen- and carbon-rich conditions within an interstellar dark cloud (for example, TMC-1) and the carbon-rich circumstellar envelope of an evolved low-mass star (for example, IRC+10216). The time-dependent chemical kinetic models of these sources are consistent with observations (abundances within one magnitude) for about 60% of observed species. The discrepancies could be due to several reasons, such as the limitations of the models (for example, the models do not include grain-surface chemistry), incorrect reaction rates or missing chemical species in the database.

作为天文学开放科学的先驱，UMIST 天体化学数据库 (UDfA) 最近发布了第六次迭代，现在包含 8,767 个气相化学反应（涉及 737 种化学物质）及其反应速率系数。与 2013 年发布的上一个版本相比，增加了 40% 以上。这一增长反映了 2013 年至 2022 年期间在实验室测量并通过分析计算或使用参考文献中发布的计算机软件计算的反应速率数量。增加的主要原因是在对富含分子的天文区域（例如“QUIJOTE”和“GOTHAM”）进行广泛的亚毫米观测调查中发现了数十种新物种。新添加的分子包括长碳链分子 HC ₁₁ N、数量惊人的炔丙基烃 (CH ₂ CCH)、一系列含硫烃，例如 HC ₄ S、膦 (PH ₃ ) 和氯甲烷 (CH ₃ Cl ）。

除了介绍数据库的更新外，本文还提供了三个案例研究：星际暗云（例如 TMC-1）内的富氧和碳条件以及演化的低质量星体的富碳星周包层。星号（例如 IRC+10216）。这些来源的时间依赖性化学动力学模型与约 60% 观察到的物种的观察结果（丰度在一个数量级内）一致。差异可能是由于多种原因造成的，例如模型的局限性（例如，模型不包括颗粒表面化学）、反应速率不正确或数据库中缺少化学物质。