Chemie mit Überschall: 30 Jahre astrochemische Forschung und künftige Herausforderungen

Потапов, А. В.; Canosa, André; Jiménez, Elena; Rowe, B. R.

doi:10.1002/ange.201611240

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Chemical Processes and Quantities1

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2023

2024

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Cited by 2 publications

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“…Here we just remind readers that the two pillars of the characterization of gas-phase reactions are: (i) laboratory experiments ( e.g. the CRESU and cross-beam apparatus 149–152 ) and (ii) quantum mechanical (QM) computations.…”

Section: Chemical Processes and Quantitiesmentioning

confidence: 99%

Spiers Memorial Lecture: Astrochemistry at high resolution

Ceccarelli¹

2023

Faraday Discuss.

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Section: Chemical Processes and Quantitiesmentioning

confidence: 99%

Spiers Memorial Lecture: Astrochemistry at high resolution

Ceccarelli¹

2023

Faraday Discuss.

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Can astronomical observations be used to constrain crucial chemical reactions? The methoxy case. SOLIS XVIII

Balucani,

Ceccarelli,

Vazart

et al. 2024

Monthly Notices of the Royal Astronomical Society

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To understand the origin of interstellar molecules we rely on astrochemical models, the gas-phase networks of which contain ≥7000 reactions. However, just a tiny fraction of them have parameters derived in laboratory experiments. Theoretical quantum mechanical (QM) calculations can also provide this information. Unfortunately, sometimes theoretical predictions and experimental values disagree, as is the case for the paradigmatic reaction CH3OH + OH → CH3O + H2O. Both laboratory experiments and QM calculations found an unexpected increase in the rate coefficients with decreasing temperature. However, experimental and theoretical estimates of the rate coefficients diverge by up to two orders of magnitude. This work aims to test whether astronomical observations can help untangle this confusing situation. To this end, we first carried out new QM calculations to derive the rate coefficients of the major destruction reaction of the methoxy radical, CH3O + H, and then we compared astronomical observations from the IRAM/NOEMA Large Program SOLIS with astrochemical model predictions. Our new rate coefficient for the CH3O + H reaction is 5–10 times larger than that in the astrochemical database KIDA in the 10–100 K range. When including the new methoxy destruction rate coefficients, the comparison between observations and model predictions favours the rate coefficients of the CH3OH + OH reaction from QM calculations. We conclude that QM calculations are an important alternative to laboratory experiments when it comes to the harsh conditions of interstellar objects and that astronomical observations can be used to constraint the rate coefficients of relevant reactions.

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Chemie mit Überschall: 30 Jahre astrochemische Forschung und künftige Herausforderungen

Cited by 2 publications

References 253 publications

Spiers Memorial Lecture: Astrochemistry at high resolution

Spiers Memorial Lecture: Astrochemistry at high resolution

Can astronomical observations be used to constrain crucial chemical reactions? The methoxy case. SOLIS XVIII

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