Dissociative electron attachment to HGaF4 Lewis–Brønsted superacid

Marcin Czapla , Jack Simons , Piotr Skurski

Abstract

The consequences of an excess electron attachment to HGaF4 (HF/GaF3) superacid are investigated on the basis of theoretical calculations employing ab initio methods. It is found that the dipole potential of HGaF4 plays an important role in the initial formation of a dipole-bound anionic state. Due to the kinetic instability of that initially formed anion, a fragmentation reaction occurs promptly and leads to (GaF4) and H as the final products. The energy profile of this process, its rate, and mechanism are presented and discussed.
Author Marcin Czapla (FCh / DTCh / LQCh)
Marcin Czapla,,
- Laboratory of Quantum Chemistry
, Jack Simons
Jack Simons,,
-
, Piotr Skurski (FCh / DTCh / LQCh)
Piotr Skurski,,
- Laboratory of Quantum Chemistry
Journal seriesPhysical Chemistry Chemical Physics, ISSN 1463-9076, e-ISSN 1463-9084, (A 40 pkt)
Issue year2018
Vol20
No33
Pages21739-21745
Publication size in sheets0.5
Keywords in Englishsuperacids, dipole bound anions, dissociative electron attachment, calculations
DOIDOI:10.1039/c8cp04007a
URL http://pubs.rsc.org/en/content/articlepdf/2018/cp/c8cp04007a
Languageen angielski
Score (nominal)40
ScoreMinisterial score = 40.0, 24-08-2018, ArticleFromJournal
Ministerial score (2013-2016) = 40.0, 24-08-2018, ArticleFromJournal
Publication indicators WoS Impact Factor: 2016 = 4.123 (2) - 2016=4.242 (5)
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