Combined experimental and computational study of the reactivity of the methanimine radical cation (H2CNHË+) and its isomer aminomethylene (HCNH2Ë+) with propene (CH3CHCH2).
Phys Chem Chem Phys
; 26(35): 22990-23002, 2024 Sep 11.
Article
em En
| MEDLINE
| ID: mdl-39171672
ABSTRACT
The gas phase reactivity of the radical cation isomers H2CNHË+ (methanimine) and HCNH2Ë+ (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 â¼0.07-11.80 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 H2CNHË+ isomer is over a factor two more reactive than HCNH2Ë+. A major channel from both isomers is production of protonated methanimine CH2NH2+via hydrogen-atom transfer reaction but, while H2CNHË+ additionally gives charge and proton transfer products, the HCNH2Ë+ isomer leads instead to protonated vinylimine CH2CHCHNH2+, produced alongside CH3Ë 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.
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MEDLINE
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En
Ano de publicação:
2024
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Article