Isotope exchange in ionised CO2/CO mixtures: the role of asymmetrical C2O3+ ions |
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Authors: | de Petris Giulia Cartoni Antonella Rosi Marzio Troiani Anna Angelini Giancarlo Ursini Ornella |
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Affiliation: | Dipartimento di Studi di Chimica e Tecnologia delle Sostanze, Biologicamente Attive, Università La Sapienza, P.le Aldo Moro 5, 00185 Rome, Italy. giulia.depetris@uniroma1.it |
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Abstract: | A hitherto unknown, atmospherically relevant, isotope-exchange reaction was studied in ionised gaseous mixtures containing carbon dioxide and monoxide. The mechanism of the O exchange, proceeding over a double-minimum potential-energy surface, was positively established by mass spectrometric and theoretical methods that also allowed the identification and characterisation of the C2O3+ intermediate. The increase of internal energy displaces the observed reactivity towards an endothermic reaction path that involves only CO2 and represents an indirect route to the dissociation of carbon dioxide. |
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Keywords: | atmospheric chemistry carbon oxides density functional calculations gas‐phase reactions mass spectrometry |
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