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Structure and Magnetic Properties of Mixed-Ligand Complexes of 3d Metal Hexafluoroacetylacetonates with 3,5- and 3,6-Di-Tert-Butyl-O-Benzoquinones. / Fokin, S. V.; Fursova, E. Yu; Letyagin, G. A. и др.
в: Journal of Structural Chemistry, Том 61, № 4, 01.04.2020, стр. 541-549.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Structure and Magnetic Properties of Mixed-Ligand Complexes of 3d Metal Hexafluoroacetylacetonates with 3,5- and 3,6-Di-Tert-Butyl-O-Benzoquinones
AU - Fokin, S. V.
AU - Fursova, E. Yu
AU - Letyagin, G. A.
AU - Bogomyakov, A. S.
AU - Morozov, V. A.
AU - Romanenko, G. V.
AU - Ovcharenko, V. I.
N1 - Publisher Copyright: © 2020, Pleiades Publishing, Ltd. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2020/4/1
Y1 - 2020/4/1
N2 - The reaction of metal hexafluoroacetylacetonates M(hfac)2, where M = Fe, Mn, and Co, with 3,6-di-tert-butyl-o-benzoquinone (3,6-Q) in the inert atmosphere of a dry box is found to yield mixed-ligand complexes [M(hfac)2(3,6-Q)]. When the synthesis is performed under ambient conditions or the [M(hfac)2(3,6-Q)] mother liquor is kept in air in the case of Mn(II) and Co(II), crystals of [M(hfac)2(H2O)2](3,6-Q) aqua complexes precipitate into the solid phase, in which cis-coordinated H2O molecules are hydrogen bonded to o-quinone O atoms. Single crystal X-ray diffraction data for compounds, which correlate with the results of quantum chemical calculations, show that solid [M(hfac)2(3,6-Q)] and [M(hfac)2(H2O)2](3,6-Q), where M = Co(II) and Mn(II), contain initial o-quinone molecules. In the interaction of Fe(hfac)2 with 3,6-Q, there is an intramolecular redox process during which Fe(II) is oxidized to Fe(III) and o-quinone is reduced to the respective semiquinonate radical anion, which leads to the formation of [FeIII(hfac)2(3,6-SQ)]. According to the data of magnetic measurements, a strong antiferromagnetic exchange between high-spin Fe(III) unpaired electrons and SQ provide an almost complete compensation of spin of one of the unpaired electrons of the metal ion by SQ spin. For Co a complex with 3,5-di-tert-butyl-o-benzoquinone [Co(hfac)2(3,5-Q)] is also synthesized and its structure and magnetic properties are studied. The latter prove to be similar to those of [Co(hfac)2(3,6-Q)].
AB - The reaction of metal hexafluoroacetylacetonates M(hfac)2, where M = Fe, Mn, and Co, with 3,6-di-tert-butyl-o-benzoquinone (3,6-Q) in the inert atmosphere of a dry box is found to yield mixed-ligand complexes [M(hfac)2(3,6-Q)]. When the synthesis is performed under ambient conditions or the [M(hfac)2(3,6-Q)] mother liquor is kept in air in the case of Mn(II) and Co(II), crystals of [M(hfac)2(H2O)2](3,6-Q) aqua complexes precipitate into the solid phase, in which cis-coordinated H2O molecules are hydrogen bonded to o-quinone O atoms. Single crystal X-ray diffraction data for compounds, which correlate with the results of quantum chemical calculations, show that solid [M(hfac)2(3,6-Q)] and [M(hfac)2(H2O)2](3,6-Q), where M = Co(II) and Mn(II), contain initial o-quinone molecules. In the interaction of Fe(hfac)2 with 3,6-Q, there is an intramolecular redox process during which Fe(II) is oxidized to Fe(III) and o-quinone is reduced to the respective semiquinonate radical anion, which leads to the formation of [FeIII(hfac)2(3,6-SQ)]. According to the data of magnetic measurements, a strong antiferromagnetic exchange between high-spin Fe(III) unpaired electrons and SQ provide an almost complete compensation of spin of one of the unpaired electrons of the metal ion by SQ spin. For Co a complex with 3,5-di-tert-butyl-o-benzoquinone [Co(hfac)2(3,5-Q)] is also synthesized and its structure and magnetic properties are studied. The latter prove to be similar to those of [Co(hfac)2(3,6-Q)].
KW - 3,5-di-tert-butyl-o-benzoquinone
KW - 3,6-di-tert-butyl-o-benzoquinone
KW - cobalt
KW - hexafluoroacetylacetonate
KW - iron
KW - magnetochemistry
KW - manganese
KW - quantum chemical calculations
KW - single crystal X-ray diffraction analysis
UR - http://www.scopus.com/inward/record.url?scp=85088658400&partnerID=8YFLogxK
U2 - 10.1134/S002247662004006X
DO - 10.1134/S002247662004006X
M3 - Article
AN - SCOPUS:85088658400
VL - 61
SP - 541
EP - 549
JO - Journal of Structural Chemistry
JF - Journal of Structural Chemistry
SN - 0022-4766
IS - 4
ER -
ID: 24832786