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Strong Lewis and Brønsted Acidic Sites in the Borosulfate Mg 3 [H 2 O→B(SO 4 ) 3 ] 2
Author(s) -
Netzsch Philip,
Stroh Regina,
Pielnhofer Florian,
Krossing Ingo,
Höppe Henning A.
Publication year - 2021
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.202016920
Subject(s) - lewis acids and bases , adduct , chemistry , density functional theory , infrared spectroscopy , boron , thermogravimetric analysis , crystallography , molecule , inorganic chemistry , brønsted–lowry acid–base theory , proton , medicinal chemistry , computational chemistry , catalysis , organic chemistry , physics , quantum mechanics
Borosulfates provide fascinating structures and properties that go beyond a pure analogy to silicates. Mg 3 [H 2 O→B(SO 4 ) 3 ] 2 is the first borosulfate featuring a boron atom solely coordinated by three tetrahedra. Thus, the free Lewis acidic site forms a Lewis acid–base adduct with a water molecule. This is unprecedented for borosulfate chemistry and even for borates. Quantum chemical calculations on water exchange reactions with BF 3 and B(C 6 F 5 ) 3 revealed a higher Lewis acidity for the borosulfate anion. Moreover, proton exchange reactions showed a higher Brønsted acidity than comparable silicates or phosphates. Additionally, Mg 3 [H 2 O→B(SO 4 ) 3 ] 2 was characterised by X‐ray diffraction, infrared spectroscopy, thermogravimetric analysis, and density functional theory (DFT) calculations.