The acid strength of the datively bound complexes involving AlF3 lone pair acceptor and various lone pair donors

Olimpia Rybacka , Jakub Brzeski , Iwona Anusiewicz , Piotr Skurski

Abstract

The acid strength of the datively bound X->AlF3 complexes (X = HF, HCl, H2S, AsH3, PH3, NF2H, NFH2, NH3, and H2O) is evaluated on the basis of theoretical calculations employing ab initio methods. Significant enhancement of the X acidity upon the formation of X/AlF3 compounds is predicted. It is demonstrated that even the non-acidic molecules X (e.g., H2O, NH3) combined with AlF3 are expected to form the X->AlF3 complexes characterized by the acid strength comparable or larger than that of H2SO4.
Author Olimpia Rybacka (FCh / DTCh / LQCh)
Olimpia Rybacka,,
- Laboratory of Quantum Chemistry
, Jakub Brzeski (FCh / DTCh / LQCh)
Jakub Brzeski,,
- Laboratory of Quantum Chemistry
, Iwona Anusiewicz (FCh / DTCh / LQCh)
Iwona Anusiewicz,,
- Laboratory of Quantum Chemistry
, Piotr Skurski (FCh / DTCh / LQCh)
Piotr Skurski,,
- Laboratory of Quantum Chemistry
Journal seriesChemical Physics Letters, ISSN 0009-2614, (A 25 pkt)
Issue year2018
Vol706
Pages488-493
Publication size in sheets0.5
Keywords in Englishsuperacid, Lewis acid, dative bond
DOIDOI:10.1016/j.cplett.2018.06.059
URL https://doi.org/10.1016/j.cplett.2018.06.059
Languageen angielski
Score (nominal)30
ScoreMinisterial score = 25.0, 10-09-2018, ArticleFromJournal
Ministerial score (2013-2016) = 30.0, 10-09-2018, ArticleFromJournal
Publication indicators WoS Impact Factor: 2016 = 1.815 (2) - 2016=1.759 (5)
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