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Trinuclear copper(ii) bromide complex [C3H5N3Br]2: n[Cu3Br8]n. Structure, magnetic properties and DFT calculations. / Berezin, A. S.; Komarovskikh, A. Yu; Komarov, V. Y. et al.

In: New Journal of Chemistry, Vol. 43, No. 46, 14.12.2019, p. 18203-18209.

Research output: Contribution to journal › Article › peer-review

Harvard

Berezin, AS, Komarovskikh, AY, Komarov, VY, Syrokvashin, MM & Sheven, DG 2019, 'Trinuclear copper(ii) bromide complex [C3H5N3Br]2: n[Cu3Br8]n. Structure, magnetic properties and DFT calculations', New Journal of Chemistry, vol. 43, no. 46, pp. 18203-18209. https://doi.org/10.1039/c9nj04826j

APA

Berezin, A. S., Komarovskikh, A. Y., Komarov, V. Y., Syrokvashin, M. M., & Sheven, D. G. (2019). Trinuclear copper(ii) bromide complex [C3H5N3Br]2: n[Cu3Br8]n. Structure, magnetic properties and DFT calculations. New Journal of Chemistry, 43(46), 18203-18209. https://doi.org/10.1039/c9nj04826j

Vancouver

Berezin AS, Komarovskikh AY, Komarov VY, Syrokvashin MM, Sheven DG. Trinuclear copper(ii) bromide complex [C3H5N3Br]2: n[Cu3Br8]n. Structure, magnetic properties and DFT calculations. New Journal of Chemistry. 2019 Dec 14;43(46):18203-18209. doi: 10.1039/c9nj04826j

Author

Berezin, A. S. ; Komarovskikh, A. Yu ; Komarov, V. Y. et al. / Trinuclear copper(ii) bromide complex [C3H5N3Br]2: n[Cu3Br8]n. Structure, magnetic properties and DFT calculations. In: New Journal of Chemistry. 2019 ; Vol. 43, No. 46. pp. 18203-18209.

BibTeX

@article{460a4c317f2c4f0dbe49d76e49207ae6,
title = "Trinuclear copper(ii) bromide complex [C3H5N3Br]2: n[Cu3Br8]n. Structure, magnetic properties and DFT calculations",
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.",
keywords = "ELECTRON-PARAMAGNETIC-RES, CRYSTAL-STRUCTURE, HIGH-NUCLEARITY, STACKING PATTERNS, HALIDE-COMPLEXES, CL, BR, APPROXIMATION, TRIMER, SALTS",
author = "Berezin, {A. S.} and Komarovskikh, {A. Yu} and Komarov, {V. Y.} and Syrokvashin, {M. M.} and Sheven, {D. G.}",
note = "Publisher Copyright: This journal is {\textcopyright} The Royal Society of Chemistry and the Centre National de la Recherche Scientifique. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.",
year = "2019",
month = dec,
day = "14",
doi = "10.1039/c9nj04826j",
language = "English",
volume = "43",
pages = "18203--18209",
journal = "New Journal of Chemistry",
issn = "1144-0546",
publisher = "ROYAL SOC CHEMISTRY",
number = "46",

}

RIS

TY - JOUR

T1 - Trinuclear copper(ii) bromide complex [C3H5N3Br]2: n[Cu3Br8]n. Structure, magnetic properties and DFT calculations

AU - Berezin, A. S.

AU - Komarovskikh, A. Yu

AU - Komarov, V. Y.

AU - Syrokvashin, M. M.

AU - Sheven, D. G.

N1 - Publisher Copyright: This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.

PY - 2019/12/14

Y1 - 2019/12/14

N2 - 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.

AB - 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.

KW - ELECTRON-PARAMAGNETIC-RES

KW - CRYSTAL-STRUCTURE

KW - HIGH-NUCLEARITY

KW - STACKING PATTERNS

KW - HALIDE-COMPLEXES

KW - CL

KW - BR

KW - APPROXIMATION

KW - TRIMER

KW - SALTS

UR - http://www.scopus.com/inward/record.url?scp=85075654191&partnerID=8YFLogxK

U2 - 10.1039/c9nj04826j

DO - 10.1039/c9nj04826j

M3 - Article

AN - SCOPUS:85075654191

VL - 43

SP - 18203

EP - 18209

JO - New Journal of Chemistry

JF - New Journal of Chemistry

SN - 1144-0546

IS - 46

ER -

ID: 22500637