Combined experimental and computational study of the reactivity of the methanimine radical cation (H<sub>2</sub>CNH<SUP>•</SUP><SUP>+</SUP>) and its isomer aminomethylene (HCNH<sub>2</sub><SUP>•</SUP><SUP>+</SUP>) with propene (CH<sub>3</sub>CHCH<sub>2</sub>)
Identifikátory výsledku
Kód výsledku v 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>
Výsledek na webu
<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>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Combined experimental and computational study of the reactivity of the methanimine radical cation (H<sub>2</sub>CNH<SUP>•</SUP><SUP>+</SUP>) and its isomer aminomethylene (HCNH<sub>2</sub><SUP>•</SUP><SUP>+</SUP>) with propene (CH<sub>3</sub>CHCH<sub>2</sub>)
Popis výsledku v původním jazyce
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.
Název v anglickém jazyce
Combined experimental and computational study of the reactivity of the methanimine radical cation (H<sub>2</sub>CNH<SUP>•</SUP><SUP>+</SUP>) and its isomer aminomethylene (HCNH<sub>2</sub><SUP>•</SUP><SUP>+</SUP>) with propene (CH<sub>3</sub>CHCH<sub>2</sub>)
Popis výsledku anglicky
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.
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
10403 - Physical chemistry
Návaznosti výsledku
Projekt
<a href="/cs/project/LTC20062" target="_blank" >LTC20062: Reactivity of negative ions in the gas phase</a><br>
Návaznosti
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Ostatní
Rok uplatnění
2024
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Physical Chemistry Chemical Physics
ISSN
1463-9076
e-ISSN
1463-9084
Svazek periodika
26
Číslo periodika v rámci svazku
35
Stát vydavatele periodika
GB - Spojené království Velké Británie a Severního Irska
Počet stran výsledku
13
Strana od-do
22990-23002
Kód UT WoS článku
001296108800001
EID výsledku v databázi Scopus
2-s2.0-85201871658