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Title: Electron momentum spectroscopy of aniline taking account of nuclear dynamics in the initial electronic ground state
Authors: Farasat, M.
Shojaei, S.H.R.
Morini, Filippo
Golzan, M. M.
Deleuze, Michael
Issue Date: 2016
Abstract: The electronic structure, electron binding energy spectrum and (e, 2e) momentum distributions of aniline have been theoretically predicted at an electron impact energy of 1.500 keV on the basis of Born–Oppenheimer molecular dynamical simulations, in order to account for thermally induced nuclear motions in the initial electronic ground state. Most computed momentum profiles are rather insensitive to thermally induced alterations of the molecular structure, with the exception of the profiles corresponding to two ionization bands at electron binding energies comprised between ∼10.0 and ∼12.0 eV (band C) and between ∼16.5 and ∼20.0 eV (band G). These profiles are found to be strongly influenced by nuclear dynamics in the electronic ground state, especially in the low momentum region. The obtained results show that thermal averaging smears out most generally the spectral fingerprints that are induced by nitrogen inversion.
Notes: Shojaei, SHR (reprint author), Sahand Univ Technol, Dept Phys, Fac Sci, Gazi St, Tabriz 513351996, Iran. shojaei@sut.ac.ir
URI: http://hdl.handle.net/1942/20832
DOI: 10.1088/0953-4075/49/7/075102
ISI #: 000372911000012
ISSN: 0953-4075
Category: A1
Type: Journal Contribution
Validation: ecoom, 2017
Appears in Collections: Research publications

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