TY - JOUR
T1 - Dipole-bound anion of hydrogen fluoride dimer
T2 - Theoretical ab initio study
AU - Ramaekers, Riet
AU - Smith, Dayle M.A.
AU - Elkadi, Yasser
AU - Adamowicz, Ludwik
N1 - Funding Information:
Kit Bowen and his coworkers. We thank Professor Bowen for sending to us his manuscript describing the experimental work on the (HF)~ dimer prior to publication. Support for this work was provided by the National Science Foundation under Grant CHE-9300497.
PY - 1997/10/3
Y1 - 1997/10/3
N2 - 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.
AB - 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.
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U2 - 10.1016/S0009-2614(97)00904-4
DO - 10.1016/S0009-2614(97)00904-4
M3 - Article
AN - SCOPUS:0031551556
SN - 0009-2614
VL - 277
SP - 269
EP - 274
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-3
ER -