Synthesis and Characterization of the New Manganese Hydroxide Chloride γ-Mn(OH)Cl

Falkowski V, Zeugner A, Isaeva A, Ruck M, Huppertz H (2018)

Publication Type: Journal article

Publication year: 2018

Journal

European Journal of Inorganic Chemistry Wiley-VCH Verlag

Book Volume: 2018

Pages Range: 4630-4637

Journal Issue: 42

DOI: 10.1002/ejic.201800928

Abstract

A new modification of Mn(OH)Cl was obtained under high-pressure/high-temperature conditions in a Walker-type multianvil device. The pale pink, hygroscopic compound crystallizes in the orthorhombic space group Pnma (no. 62) with a = 602.90(4), b = 350.98(2), c = 1077.69(7) pm, and V = 228 × 10⁶ pm³. The layered centrosymmetric structure consists of edge-sharing Mn(OH)3Cl3 octahedra arranged in sheets parallel to the (001) plane. The comparatively long H···Cl distance of 275 pm suggests only weak hydrogen bonds between neighboring layers. Spin-polarized scalar-relativistic DFT+U calculations predict a non-conducting magnetically ordered ground state with a band gap of at least 3.2 eV and an effective magnetic moment of 4.65 µB/f. u. The experimentally determined magnetic response of Mn(OH)Cl is paramagnetic in the range of 10–300 K. The estimated moment of 5.6 µB/f. u. indicates the high-spin d⁵ configuration of manganese(II). We find hints for a long-range magnetic ordering below 10 K.

Involved external institutions

Leopold-Franzens-Universität Innsbruck / University of Innsbruck

Austria (AT) Technische Universität Dresden

Germany (DE)

How to cite

APA:

Falkowski, V., Zeugner, A., Isaeva, A., Ruck, M., & Huppertz, H. (2018). Synthesis and Characterization of the New Manganese Hydroxide Chloride γ-Mn(OH)Cl. European Journal of Inorganic Chemistry, 2018(42), 4630-4637. https://doi.org/10.1002/ejic.201800928

MLA:

Falkowski, Viktoria, et al. "Synthesis and Characterization of the New Manganese Hydroxide Chloride γ-Mn(OH)Cl." European Journal of Inorganic Chemistry 2018.42 (2018): 4630-4637.

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