Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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. и др.
в: New Journal of Chemistry, Том 43, № 46, 14.12.2019, стр. 18203-18209.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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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