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Dissociative electron attachments to ethanol and acetaldehyde: A combined experimental and simulation study.
Wang, Xu-Dong; Xuan, Chuan-Jin; Feng, Wen-Ling; Tian, Shan Xi.
Afiliación
  • Wang XD; Hefei National Laboratory for Physical Sciences at the Microscale, Center of Advanced Chemical Physics, and Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, China.
  • Xuan CJ; Hefei National Laboratory for Physical Sciences at the Microscale, Center of Advanced Chemical Physics, and Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, China.
  • Feng WL; Hefei National Laboratory for Physical Sciences at the Microscale, Center of Advanced Chemical Physics, and Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, China.
  • Tian SX; Hefei National Laboratory for Physical Sciences at the Microscale, Center of Advanced Chemical Physics, and Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, China.
J Chem Phys ; 142(6): 064316, 2015 Feb 14.
Article en En | MEDLINE | ID: mdl-25681915
Dissociation dynamics of the temporary negative ions of ethanol and acetaldehyde formed by the low-energy electron attachments is investigated by using the anion velocity map imaging technique and ab initio molecular dynamics simulations. The momentum images of the dominant fragments O(-)/OH(-) and CH3 (-) are recorded, indicating the low kinetic energies of O(-)/OH(-) for ethanol while the low and high kinetic energy distributions of O(-) ions for acetaldehyde. The CH3 (-) image for acetaldehyde also shows the low kinetic energy. With help of the dynamics simulations, the fragmentation processes are qualitatively clarified. A new cascade dissociation pathway to produce the slow O(-) ion via the dehydrogenated intermediate, CH3CHO(-) (acetaldehyde anion), is proposed for the dissociative electron attachment to ethanol. After the electron attachment to acetaldehyde molecule, the slow CH3 (-) is produced quickly in the two-body dissociation with the internal energy redistributions in different aspects before bond cleavages.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2015 Tipo del documento: Article País de afiliación: China Pais de publicación: Estados Unidos
Texto completo
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XML
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2015 Tipo del documento: Article País de afiliación: China Pais de publicación: Estados Unidos