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Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/10788

Title: Evidences from electron momentum spectroscopy for ultra-fast charge transfers and structural reorganizations in a floppy molecule: Ethanol
Authors: DELEUZE, Michael
HAJGATO, Balazs
MORINI, Filippo
Issue Date: 2009
Publisher: IOP Publishing
Citation: Journal of Physics: Conference Series, 194(5), (ART N° 052004)
Abstract: Calculations of electron momentum distributions employing advanced Dyson orbital theories and statistical thermodynamics beyond the RRHO approximation fail to quantitatively reproduce the outermost momentum profile inferred from experiments on ethanol employing high resolution Electron Momentum Spectroscopy [1]. Study of the influence of nuclear dynamics in the initial ground state and final ionized state indicates that this discrepancy between theory and experiment reflects a charge transfer occurring during an ultra-fast dissociation of the ethanol radical cation into a methyl radical and H2C=O-H+.
Notes: Theoretical Chemistry, Department SBG, Hasselt University, Agoralaan Gebouw D, B-3590 Diepenbeek, Belgium
URI: http://hdl.handle.net/1942/10788
DOI: 10.1088/1742-6596/194/5/052004
ISSN: 1742-6596
Category: A2
Type: Journal Contribution
Appears in Collections: Research publications

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