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Substituent effects on H3 + formation via H2 roaming mechanisms from organic molecules under strong-field photodissociation.
Ekanayake, Nagitha; Nairat, Muath; Weingartz, Nicholas P; Michie, Matthew J; Levine, Benjamin G; Dantus, Marcos.
Afiliación
  • Ekanayake N; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
  • Nairat M; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
  • Weingartz NP; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
  • Michie MJ; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
  • Levine BG; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
  • Dantus M; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
J Chem Phys ; 149(24): 244310, 2018 Dec 28.
Article en En | MEDLINE | ID: mdl-30599731
Roaming chemical reactions are often associated with neutral molecules. The recent findings of roaming processes in ionic species, in particular, ones that lead to the formation of H3 + under strong-field laser excitation, are of considerable interest. Given that such gas-phase reactions are initiated by double ionization and subsequently facilitated through deprotonation, we investigate the strong-field photodissociation of ethanethiol, also known as ethyl mercaptan, and compare it to results from ethanol. Contrary to expectations, the H3 + yield was found to be an order of magnitude lower for ethanethiol at certain laser field intensities, despite its lower ionization energy and higher acidity compared to ethanol. In-depth analysis of the femtosecond time-resolved experimental findings, supported by ab initio quantum mechanical calculations, provides key information regarding the roaming mechanisms related to H3 + formation. Results of this study on the dynamics of dissociative half-collisions involving H3 +, a vital cation which acts as a Brønsted-Lowry acid protonating interstellar organic compounds, may also provide valuable information regarding the formation mechanisms and observed natural abundances of complex organic molecules in interstellar media and planetary atmospheres.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2018 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2018 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos