Trinuclear copper() bromide complex [CHNBr][CuBr]. Structure, magnetic properties and DFT calculations

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] 2 n [Cu 3 Br 8 ] n compound (HL = 3-amino-4-bromopyrazolium) -...

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Veröffentlicht in:New journal of chemistry 2019-12, Vol.43 (46), p.1823-1829
Hauptverfasser: Berezin, A. S, Komarovskikh, A. Yu, Komarov, V. Y, Syrokvashin, M. M, Sheven, D. G
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container_end_page 1829
container_issue 46
container_start_page 1823
container_title New journal of chemistry
container_volume 43
creator Berezin, A. S
Komarovskikh, A. Yu
Komarov, V. Y
Syrokvashin, M. M
Sheven, D. G
description 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] 2 n [Cu 3 Br 8 ] n compound (HL = 3-amino-4-bromopyrazolium) - the first example of an inorganic polymer built from trimeric [Cu 3 Br 8 ] 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. Halidocuprates( ii ) show unusual magnetic properties and a high degree of structural flexibility.
doi_str_mv 10.1039/c9nj04826j
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title Trinuclear copper() bromide complex [CHNBr][CuBr]. Structure, magnetic properties and DFT calculations
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