Title: Dipole-bound anion of hydrogen fluoride dimer: theoretical ab initio study
Authors: Ramaekers, Rita ×
Smith, DMA
Elkadi, Y
Adamowicz, L #
Issue Date: Jan-1997
Publisher: Elsevier science bv
Series Title: Chemical Physics Letters vol:277 issue:1-3 pages:269-274
Abstract: Ab initio calculations have been performed to determine the electron affinity of the hydrogen fluoride dimer, (HF)(2). Although, a single hydrogen fluoride molecule does not form a stable stationary state with an excess electron, the hydrogen fluoride dimer has a positive electron affinity. in this system the excess electron is bound by the dipole field of the complex. The present theoretical calculations render the value of adiabatic electron affinity equal to 52 meV. The calculated value is in a good agreement with experimental result of 63 +/- 6 meV of Bowen and coworkers. (C) 1997 Elsevier Science B.V.
ISSN: 0009-2614
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Chemistry - miscellaneous
× corresponding author
# (joint) last author

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