Isotope-specific reactions of acetonitrile (CH<sub>3</sub>CN) with trapped, translationally cold CCl<sup>+</sup>

نویسندگان

چکیده

The gas-phase reaction of CCl+ with acetonitrile (CH3CN) is studied using a linear Paul ion trap coupled to time-of-flight mass spectrometer. This work builds on previous study the acetylene and further explores reactivity organic neutral molecules. Both reactant species are relevant in observations models chemistry interstellar medium (ISM). Nitriles, particular, noted for their relevance prebiotic chemistry, such as found atmosphere Titan, one Saturn's moons. represents first reactions halogenated carbocation nitrile, exploration nitrile. Reactant isotopologues used unambiguously assign ionic primary products from this reaction: HNCCl+ C2H3+. Branching ratios measured both determined be equally probable. Quantum chemical statistical rate theory calculations illuminate pertinent information interpreting data, including: thermodynamics, potential energy surface reaction, well constants branching observed products. In stimulate questions regarding strength role nitrile functional group, which can explored more class.

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ژورنال

عنوان ژورنال: Journal of Chemical Physics

سال: 2021

ISSN: ['1520-9032', '1089-7690', '0021-9606']

DOI: https://doi.org/10.1063/5.0038113