Kinetics of the reaction of chloromethane with cyano radical

Albernaz, Alessandra Ferreira; Porto, Caio Moraes; Morgon, Nelson Henrique

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dc.contributor.author	Albernaz, Alessandra Ferreira	-
dc.contributor.author	Porto, Caio Moraes	-
dc.contributor.author	Morgon, Nelson Henrique	-
dc.date.accessioned	2025-09-25T13:18:13Z	-
dc.date.available	2025-09-25T13:18:13Z	-
dc.date.issued	2022-12-09	-
dc.identifier.citation	ALBERNAZ, Alessandra Ferreira; PORTO, Caio Moraes; MORGON, Nelson Henrique. Kinetics of the reaction of chloromethane with cyano radical. Chemical Physics Letters, v. 812, e 140261, 2023. DOI: https://doi.org/10.1016/j.cplett.2022.140261. Disponível em: https://www.sciencedirect.com/science/article/pii/S0009261422009186?via%3Dihub. Acesso em: 08 jul. 2025.	pt_BR
dc.identifier.uri	http://repositorio.unb.br/handle/10482/52512	-
dc.language.iso	eng	pt_BR
dc.publisher	Elsevier	pt_BR
dc.rights	Acesso Restrito	pt_BR
dc.title	Kinetics of the reaction of chloromethane with cyano radical	pt_BR
dc.type	Artigo	pt_BR
dc.subject.keyword	Cinética	pt_BR
dc.subject.keyword	Clorometano	pt_BR
dc.subject.keyword	Ciano	pt_BR
dc.subject.keyword	Equações	pt_BR
dc.subject.keyword	Constante de taxa	pt_BR
dc.identifier.doi	https://doi.org/10.1016/j.cplett.2022.140261	pt_BR
dc.description.abstract1	Halocarbons play an important role in combustion and stratospheric chemistry and have been an active subject of many studies for a long time. The six reaction channels, between CH3Cl and CN, have been investigated at CCSD(T)/aug-cc-pVTZ//CASSCF(11,10)/6-311++g(2df,p) level of theory. Only two channels dominate noticeably in the temperature range of 298–1000 K. The calculated values of the rate constants to different temperatures are in good agreement with the available experiment data. This reaction has a rate constant of k = 3.50 × 10−10 T −0.5 exp(−7.50 kJ mol−1/RT) over the range 298–1000 K.	pt_BR
dc.identifier.orcid	https://orcid.org/0000-0002-8258-8586	pt_BR
dc.identifier.orcid	https://orcid.org/0000-0002-3180-8331	pt_BR
dc.identifier.orcid	https://orcid.org/0000-0002-8349-8179	pt_BR
dc.contributor.affiliation	Universidade Brasília, Instituto de Física	pt_BR
dc.contributor.affiliation	Universidade Estadual de Campinas, Instituto de Química	pt_BR
dc.contributor.affiliation	Universidade Estadual de Campinas, Instituto de Química	pt_BR
dc.description.unidade	Instituto de Física (IF)	pt_BR
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