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Trinuclear copper(ii) bromide complex [C3H5N3Br]2n[Cu3Br8]n. Structure, magnetic properties and DFT calculations

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Abstract

Halidocuprates(II) show unusual magnetic properties and a high degree of structural flexibility. We present the results of crystallographic, electron paramagnetic resonance (EPR) spectroscopic and magnetochemical analyses of a new [HL]2n[Cu3Br8]n compound (HL = 3-amino-4-bromopyrazolium) – the first example of an inorganic polymer built from trimeric [Cu3Br8]2− units with a 5-membered nitrogen-containing heterocycle as an organic counter ion. The EPR spectrum of the polycrystalline sample exhibited a signal at g ≅ 2.06 broadened owing to spin–spin interactions between copper ions. The EPR and magnetochemical data indicate a ferromagnetic intertrimer interaction with Θ = 13 K and an antiferromagnetic intratrimer interaction with J = 310 K between the nearest-neighbor copper(II) ions, which is in agreement with DFT calculations.

Graphical abstract: Trinuclear copper(ii) bromide complex [C3H5N3Br]2n[Cu3Br8]n. Structure, magnetic properties and DFT calculations

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Publication details

The article was received on 23 Sep 2019, accepted on 29 Oct 2019 and first published on 30 Oct 2019


Article type: Paper
DOI: 10.1039/C9NJ04826J
New J. Chem., 2019, Advance Article

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    Trinuclear copper(II) bromide complex [C3H5N3Br]2n[Cu3Br8]n. Structure, magnetic properties and DFT calculations

    A. S. Berezin, A. Yu. Komarovskikh, V. Y. Komarov, M. M. Syrokvashin and D. G. Sheven, New J. Chem., 2019, Advance Article , DOI: 10.1039/C9NJ04826J

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