Combined experimental and computational study of the reactivity of the methanimine radical cation (H2CNH•+) and its isomer aminomethylene (HCNH2•+) with propene (CH3CHCH2)

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F24%3A00598166" target="_blank" >RIV/61388955:_____/24:00598166 - isvavai.cz</a>
Result on the web
<a href="https://hdl.handle.net/11104/0355902" target="_blank" >https://hdl.handle.net/11104/0355902</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/d4cp02002b" target="_blank" >10.1039/d4cp02002b</a>

Result language
angličtina
Original language name
Combined experimental and computational study of the reactivity of the methanimine radical cation (H2CNH•+) and its isomer aminomethylene (HCNH2•+) with propene (CH3CHCH2)
Original language description
The gas phase reactivity of the radical cation isomers H2CNH˙+ (methanimine) and HCNH2˙+ (aminomethylene) with propene (CH3CHCH2) has been investigated by measuring absolute reactive cross sections and product branching ratios, under single collision conditions, as a function of collision energy (in the range ∼0.07-11.80 eV) using guided ion beam mass spectrometry coupled with VUV photoionization for selective isomer generation. Experimental results have been merged with theoretical calculations to elucidate reaction pathways and structures of products. The H2CNH˙+ isomer is over a factor two more reactive than HCNH2˙+. A major channel from both isomers is production of protonated methanimine CH2NH2+via hydrogen-atom transfer reaction but, while H2CNH˙+ additionally gives charge and proton transfer products, the HCNH2˙+ isomer leads instead to protonated vinylimine CH2CHCHNH2+, produced alongside CH3˙ radicals. The reactions have astrochemical implications in the build up of chemical complexity in both the interstellar medium and the hydrocarbon-rich atmospheres of planets and satellites. © 2024 The Royal Society of Chemistry.
Czech name
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Czech description
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Type
Jimp - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry

Project
<a href="/en/project/LTC20062" target="_blank" >LTC20062: Reactivity of negative ions in the gas phase</a>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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