Netzsch Philip, Stroh Regina, Pielnhofer Florian, Krossing Ingo, Höppe Henning A
Lehrstuhl für Festkörperchemie, Universität Augsburg, Universitätsstrasse 1, 86159, Augsburg, Germany.
Institut für Anorganische und Analytische Chemie, and Freiburger Materialforschungszentrum (FMF), Universität Freiburg, Albertstrasse 21, 79104, Freiburg, Germany.
Angew Chem Int Ed Engl. 2021 May 3;60(19):10643-10646. doi: 10.1002/anie.202016920. Epub 2021 Mar 30.
Borosulfates provide fascinating structures and properties that go beyond a pure analogy to silicates. Mg [H O→B(SO ) ] 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 and B(C F ) 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 [H O→B(SO ) ] was characterised by X-ray diffraction, infrared spectroscopy, thermogravimetric analysis, and density functional theory (DFT) calculations.
硼硫酸盐具有引人入胜的结构和性质，这超越了与硅酸盐的单纯类比。Mg [H₂O→B(SO₄)₃] 是首个硼原子仅由三个四面体配位的硼硫酸盐。因此，游离的路易斯酸性位点与一个水分子形成路易斯酸碱加合物。这在硼硫酸盐化学中乃至硼酸盐化学中都是前所未有的。对与BF₃和B(C₆F₅)₃的水交换反应进行的量子化学计算表明硼硫酸根阴离子具有更高的路易斯酸度。此外，质子交换反应显示出比类似的硅酸盐或磷酸盐更高的布朗斯特酸度。此外，通过X射线衍射、红外光谱、热重分析和密度泛函理论（DFT）计算对Mg [H₂O→B(SO₄)₃] 进行了表征。
