Synthesis and Characterization of the Manganese Hydroxide Halides Mn(OH)X (X = Br, I) and Crystal Structure of trans-MnBr2·4H2O

Falkowski V, Zeugner A, Isaeva A, Wurst K, Ruck M, Huppertz H (2019)

Publication Type: Journal article

Publication year: 2019

Journal

Zeitschrift für Anorganische und Allgemeine Chemie Wiley

Book Volume: 645

Pages Range: 919-926

Journal Issue: 14

DOI: 10.1002/zaac.201900103

Abstract

The pale-pink, hygroscopic compounds Mn(OH)X (X = Br, I) were obtained by high-pressure synthesis in a Walker-type multianvil apparatus. They crystallize in the space group P21/c with a = 640.48(3), b = 698.80(3), c = 615.54(2) pm, β = 110.30(1)° at 183(1) K (X = Br), and a = 686.18(3), b = 713.08(3), c = 637.18(3) pm, β = 109.51(1)° at 150(1) K (X = I). The crystal structures are isotypic to Cu(OH)Cl and consist of edge-sharing distorted Mn(OH)3X3 octahedra arranged in sheets parallel to the bc-plane. Spin-polarized scalar-relativistic DFT+U calculations predict an intrinsic magnetic insulating state (ca. 3.5 eV bandgap) that is proximate to frustration. Calculated effective magnetic moments equal to 4.34 μB/f.u. for Mn(OH)Br and 4.33 μB/f.u. for Mn(OH)I. FT-IR spectroscopy confirmed interlayer hydrogen bonding. As a side result of the experiments, the compound trans-MnBr2·4H2O was obtained. It crystallizes in the space group Cmcm with a = 438.64(2), b = 1167.84(6), and c = 730.95(4) pm.

Involved external institutions

Leopold-Franzens-Universität Innsbruck / University of Innsbruck AT Austria (AT) Technische Universität Dresden DE Germany (DE)

How to cite

APA:

Falkowski, V., Zeugner, A., Isaeva, A., Wurst, K., Ruck, M., & Huppertz, H. (2019). Synthesis and Characterization of the Manganese Hydroxide Halides Mn(OH)X (X = Br, I) and Crystal Structure of trans-MnBr2·4H2O. Zeitschrift für Anorganische und Allgemeine Chemie, 645(14), 919-926. https://doi.org/10.1002/zaac.201900103

MLA:

Falkowski, Viktoria, et al. "Synthesis and Characterization of the Manganese Hydroxide Halides Mn(OH)X (X = Br, I) and Crystal Structure of trans-MnBr2·4H2O." Zeitschrift für Anorganische und Allgemeine Chemie 645.14 (2019): 919-926.

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