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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 | Source: | 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 | Keywords: | Atomic and molecular physics | Document URI: | http://hdl.handle.net/1942/10788 | ISSN: | 1742-6596 | DOI: | 10.1088/1742-6596/194/5/052004 | Category: | A2 | Type: | Journal Contribution |
Appears in Collections: | Research publications |
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jpconf9_194_052004.pdf Restricted Access | 399.28 kB | Adobe PDF | View/Open Request a copy |
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