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Title: Dissociative electron attachments to ethanol and acetaldehyde: A combined experimental and simulation study

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{sup −}/OH{sup −} and CH{sub 3}{sup −} are recorded, indicating the low kinetic energies of O{sup −}/OH{sup −} for ethanol while the low and high kinetic energy distributions of O{sup −} ions for acetaldehyde. The CH{sub 3}{sup −} 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{sup −} ion via the dehydrogenated intermediate, CH{sub 3}CHO{sup −} (acetaldehyde anion), is proposed for the dissociative electron attachment to ethanol. After the electron attachment to acetaldehyde molecule, the slow CH{sub 3}{sup −} is produced quickly in the two-body dissociation with the internal energy redistributions in different aspects before bond cleavages.
Authors:
; ; ;  [1]
  1. 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)
Publication Date:
OSTI Identifier:
22416117
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 6; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ACETALDEHYDE; ANIONS; CLEAVAGE; DISSOCIATION; ELECTRON ATTACHMENT; ETHANOL; FRAGMENTATION; KINETIC ENERGY; MOLECULAR DYNAMICS METHOD; MOLECULES; TWO-BODY PROBLEM; VELOCITY