The presence of two different central atoms increases the strength of Lewis-Brønsted superacids
Adrianna Cyraniak , Piotr Skurski , Marcin Czapla
AbstractThe existence, thermodynamic stability, and gas phase acidity of two series of dinuclear Lewis-Brønsted superacids (HB2F7, HAl2F7, HAlBF7 and HAs2F11, HSb2F11, HAsSbF11) were investigated on the basis of ab initio MP2 and CCSD(T) calculations. All the systems studied are characterized by large acid strengths manifested by the Gibbs free deprotonation energies significantly lower than that of the sulfuric acid. These results are related to the high electronic stabilities of their corresponding superhalogen anions (natural precursors of superacids). Furthermore, our investigations show that the superacid molecules containing two different central atoms are stronger in the gas phase than their classical counterparts.
|Journal series||Chemical Physics Letters, ISSN 0009-2614, (N/A 70 pkt)|
|Publication size in sheets||0.50|
|Keywords in English||Acid strength, superacids, superhalogens, ab initio calculations|
|Score||= 70.0, 19-06-2020, ArticleFromJournal|
|Publication indicators||= 0.000; = 0.000; : 2018 = 0.634; : 2018 = 1.901 (2) - 2018=1.696 (5)|
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