The magnetic exchange interaction via N–H⋯O-bonding in copper(II) complex with 1-phenyl-3-methyl-4-formylpyrazol-5-one 2-quinolylhydrazone

Левченков, С. И.; Shcherbakov, I. N.; Попов, Л. Д.; Lukov, V. V.; Минин, В. В.; Starikova, Z. A.; Ivannikova, E. V.; Tsaturyan, А. А.; Коган, В. А.

doi:10.1016/j.ica.2013.05.032

Cited by 36 publications

(16 citation statements)

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“…For hydrazone HL it was previously confirmed by quantum chemical calculations and single crystal X-ray diffraction study [10,19]. The ν(C=O) absorption band at 1667 cm -1 in the IR spectrum of the H 2 L′ compound indicates a pyrazolone tautomeric form, which is also typical of other Schiff bases and hydrazones of 1-phenyl-3-methyl-4-formyl-5hydroxypyrazole [20][21][22]. By slow crystallization of the reaction product of hydrazone HL with iron(III) chloride from ethanol, a single crystal sample of complex 1 with the composition [FeL 2 ]Cl⋅H 2 O was obtained whose molecular structure is shown in Fig.…”

Section: Resultsmentioning

confidence: 68%

“…The phenyl substituents are substantially turned relative to the pyrazole rings; the dihedral angles between the mean planes are 44.35° and 49.75°. It should be noted that in hydrazones based on 4-carbonyl derivatives of 1-phenyl-3-methyl-5-hydroxypyrazole and their complexes with transition metals, the turn of the phenyl group relative to the pyrazole ring vary in a very wide range and is probably solely due to the crystal packing effects [21][22][23][24][25].…”

Section: Resultsmentioning

confidence: 99%

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Molecular and crystal structure of iron(III) and nickel(II) complexes with 1′-phthalazinylhydrazones of heterocyclic carbonyl compounds

et al. 2015

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The structures of iron(III) and nickel(II) complexes with the composition [FeL 2 ]Cl⋅H 2 O (1) and[Ni( 2 HL ′ )]⋅DMSO⋅0.5H 2 O (2), where L and HL′ are monodeprotonated residues of 1′-phthalazinylhydrazones of 2-acetyl benzimidazole and 1-phenyl-3-methyl-4-formyl-5-hydroxypyrazole respectively, are determined using single crystal X-ray diffraction analysis. Both compounds crystallize in the monoclinic symmetry. The Fe(III) and Ni(II) ions in the complexes have octahedral N 6 and N 4 O 2 donor environments respectively. Due to intermolecular hydrogen bonds, the molecules of the complexes form corrugated (complex 1) and linear (complex 2) molecular chains in the crystal.Intensive study of transition metal complexes with hydrazones based on 1-hydrazonophthalazine (hydralazine) is primarily due to the biological activity displayed by hydrazones themselves and their complexes [1][2][3][4][5][6]. The possibility of a bidentate or tridentate coordination of 1′-phthalazinylhydrazones in different tautomeric forms predetermines a wide variety of the forms of the complexes whose composition depends on the structural features of the ligand, synthesis conditions, and the nature of the complexing metal [6][7][8][9][10]. Unlike the majority of other hetarylhydrazones, 1′-phthalazinylhydrazones can also act as chelate-bridging N,N′ donor ligands, which enables the preparation of binuclear complexes based on them [11,12].This work is a continuation of the study of the complexing ability of phthalazinylhydrazones of polyfunctional carbonyl compounds [10][11][12][13][14]. Here we report the results of the single crystal X-ray diffraction analysis of iron(III) and nickel(II) complexes with 1′-phthalazinylhydrazones of 2-acetyl benzimidazole (HL) and 1-phenyl-3-methyl-4-formyl-5hydroxypyrazole (H 2 L′).

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Section: Resultsmentioning

confidence: 68%

Section: Resultsmentioning

confidence: 99%

Molecular and crystal structure of iron(III) and nickel(II) complexes with 1′-phthalazinylhydrazones of heterocyclic carbonyl compounds

et al. 2015

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“…For weak H‐bonds such as C−H ⋅⋅⋅ O, bond lengths vary between 2.5 and 3.8 Å and bond angles between 120 and 180°. The presence of H‐bonds is an indispensable factor for exploring the magnetic couplings of assembled diradical or polyradical molecules, because such H‐bonds play a mediating role to assist spin coupling, as observed for the N−H ⋅⋅⋅ O‐mediated magnetic exchange interaction in diradicals . Thus, it is important to explore the effects of the bond lengths and bond angles of such H‐bonds and to obtain related information, and the results are given in Table S2.…”

Section: Resultsmentioning

confidence: 99%

Remarkable Differences in Spin Couplings for Various Self‐Paired Dimers of Ring‐Expansion‐Radicalized Uracil: A Basis for the Design of Magnetically Anisotropic Assemblies

Zhao

2018

ChemPhysChem

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The spin-coupling properties of a series of radicalized uracil (rU) dimer diradicals with different H-bonding modes is examined. Each rU has four double H-bonding sites [the amide units: two at the Watson-Crick face (upper site WC and lower site WC ), a Hoogsteen site (HO), and a minor-groove site (MI)], and ten homogeneous dimers (rU-rU) can self-pair with well-defined diradical characters and comparable stability to the native U dimers. More interestingly, all these dimers exhibit distinctly different spin-coupling characters (ferromagnetic (FM) versus antiferromagnetic (AFM) and large- versus small-magnitude spin couplings), indicative of remarkable magnetic-coupling anisotropy of rU. This observation originates from the fusion of a cyclopentadienyl radical to U, which leads to uneven spin-density distribution. In rU, the fused five-membered radical ring can spin-polarize to the edge in the minor groove, and thus dimerization of rU leads to different H-bonded structures with remarkably different magnetic couplings. The calculated larger magnetic coupling constants J are 1003.7 and 540.2 cm for the WC -HO and MI-HO H-bonding modes between rU, which exhibit considerably large FM couplings, the MI-MI, WC -WC and WC -WC modes show moderate FM couplings (J=0.4-77 cm ), and the other modes exhibit moderate or weak AFM couplings. These observations indicate that the HO and MI sites are favorable spin-coupling sites. In addition, the H-bond lengths and electronic structures of the H-bonding sites, proton transfer, and extra H-bonding interaction with the surroundings can also affect the magnetic couplings of the base pairs. Clearly, the unique magnetic coupling anisotropy of rU provides a promising application basis for the design and assembly of bio-inspired anisotropically magnetic membranes and even magnetism-tunable building blocks for novel magnetic nanoscale devices.

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“…They not only stabilize the crystal structure but also might assist in transmission of magnetic exchange interactions (e.g. O2···H2w-O1-H1w···O4) [18,19]. Additionally the hydrogen bonds link the 2D coordination polymer layers to form a 3D network (Fig.…”

Section: D Coordination Polymer Framework [Cu(23′-2′3-bpdc)h 2 O] mentioning

confidence: 99%

A New 2D Framework Based on 2,3ʹ-Bipyridine-2′,3-dicarboxylate Copper(II) Units: Synthesis, Structure and Photoluminescence Properties

Twaróg

Hołyńska

Kochel

2018

J Inorg Organomet Polym

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A new ligand 2,3′-bipyridine-2′,3-dicarboxylic acid monohydrate (1) and a new copper(II) 2D coordination polymer [Cu(2,3′-2′,3-bpdc)H 2 O] n (2) (2,3′-2′,3-bpdc = deprotonated bipyridinedicarboxylic acid) were synthesized and characterized by X-ray diffraction studies, IR spectra, elemental analysis, EPR, luminescence spectra and TGA. Magnetic properties measurements show weak antiferromagnetic coupling of the metal ions in the copper compound. These interactions are most likely assisted by hydrogen bonds. Graphical Abstract

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The magnetic exchange interaction via N–H⋯O-bonding in copper(II) complex with 1-phenyl-3-methyl-4-formylpyrazol-5-one 2-quinolylhydrazone

Cited by 36 publications

References 63 publications

Molecular and crystal structure of iron(III) and nickel(II) complexes with 1′-phthalazinylhydrazones of heterocyclic carbonyl compounds

Molecular and crystal structure of iron(III) and nickel(II) complexes with 1′-phthalazinylhydrazones of heterocyclic carbonyl compounds

Remarkable Differences in Spin Couplings for Various Self‐Paired Dimers of Ring‐Expansion‐Radicalized Uracil: A Basis for the Design of Magnetically Anisotropic Assemblies

A New 2D Framework Based on 2,3ʹ-Bipyridine-2′,3-dicarboxylate Copper(II) Units: Synthesis, Structure and Photoluminescence Properties

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