Novel pyrazolate-based copper(II) [2×2] grid complexes: Synthesis, structure and properties

Malinkin, Sergey O.; Moroz, Yurii S.; Penkova, Larysa V.; Haukka, Matti; Szebesczyk, Agnieszka; Gumienna‐Kontecka, Elżbieta; Pavlenko, Vadim A.; Nordlander, Ebbe; Meyer, Franc; Fritsky, Igor O.

doi:10.1016/j.ica.2012.03.021

Cited by 14 publications

(11 citation statements)

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“…Our dinuclear Cu complex 1 shows a rather planar conformation with a 2.3(4)° torsion angle but it has two essential differences to the previously reported systems in that the two Cu(II) centres in 1 are only four‐coordinate in contrast to the frequently five [1,4,21,47–56] or six [48] coordinate Cu atoms and that the coordination is markedly distorted towards a tetrahedron as expressed by the τ’ 4 value of 0.25. Regardless of the structural peculiarities of 1 , the found antiferromagnetic coupling of J =−100 cm −1 with an isotropic g value of 2.11 lies in the lower side of the reported J ‐range for planar Cu−(pyz) 2 −Cu systems from −68 cm −1[1] and −214 cm −1 [49] …”

Section: Resultscontrasting

confidence: 70%

Dinuclear Nickel(II) and Copper(II) Complexes of 8‐Quinoline‐1H‐pyrazole‐3‐carboxamide: Crystal Structure, Magnetic Properties, and DFT Calculations

et al. 2021

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Homoleptic dinuclear complexes [M2(qpyzc)2] (M=Cu (1) or Ni (2) were obtained from the readily synthesised trischelate pyrazole‐based qpyzc ligand (H2qpyzc=8‐quinoline‐1H‐pyrazole‐3‐carboxamide). Their crystal and molecular structures, magnetic properties, and UV‐vis spectra were reported alongside with DFT and TD‐DFT calculations. Trigonality index τ’4 values of 0.25 and 0.21 for the Cu and Ni centres, respectively reveal a marked distortion from square planar geometry. The two metal coordination planes within a complex are tilted towards each other with 40.2(1)° for Cu(II) and 34.5(2)° for Ni(II). The central six‐membered M2N4 metallocycle is almost planar and the two anionic pyrazolate rings are tilted towards each other by 37.4(1)° (1) and 38.5(2)° (2), respectively. Regardless of this peculiar bonding situation magnetic measurements on 1 are in line with medium‐sized antiferromagnetic coupling with a coupling constant of J=−100 cm−1, an isotropic g value of 2.11 and an S=0 ground state. Complex 2 seems to be diamagnetic. DFT calculations gave an excellent agreement between calculated and experimental metrics of the complexes and supported the prevalence of the singlet ground state for 1. TD‐DFT calculated UV‐vis absorption spectra agree well with observed absorptions and the red colour of both compounds.

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Section: Resultscontrasting

confidence: 70%

Dinuclear Nickel(II) and Copper(II) Complexes of 8‐Quinoline‐1H‐pyrazole‐3‐carboxamide: Crystal Structure, Magnetic Properties, and DFT Calculations

et al. 2021

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“…On the other hand, phenanthroline is often used in the synthesis of discrete polynuclear complexes in order to prevent formation of coordination polymers by blocking a certain number of vacant sites in the coordination sphere of a metal ion (Fritsky et al, 2004(Fritsky et al, , 2006. Herein we report the synthesis and crystal structure of the title compound, (I), as a continuation of our earlier work devoted to complexes based on non-symmetrical pyrazole ligands (Penkova et al, 2008;Malinkin et al, 2012a,b), in particular, 3-acetyl-4-methyl-1H-pyrazole-5 carboxylic acid (Malinkin et al, 2009(Malinkin et al, , 2012c).…”

Section: S1 Commentmentioning

confidence: 91%

(3-Acetyl-4-methyl-1H-pyrazol-1-ide-5-carboxylato)bis(1,10-phenanthroline)nickel(II) 3.5-hydrate

et al. 2013

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The title compound, [Ni(C7H6N2O3)(C12H8N2)2]·3.5H2O, crystallizes as a neutral mononuclear complex with 3.5 solvent water molecules. One of the water molecules lies on an inversion centre, so that its H atoms are disordered over two sites. The coordination environment of NiII has a slightly distorted octahedral geometry, which is formed by one O and five N atoms belonging to the N,O-chelating pyrazol-1-ide-5-carboxylate and two N,N′-chelating phenanthroline molecules. In the crystal, O—H⋯O, N—H⋯O and O—H⋯N hydrogen bonds involving the solvent water molecules and pyrazole-5-carboxylate ligands form layers parallel to the ab plane. These layers are linked further via weak π–π interactions between two adjacent phenanthroline molecules, with centroid-to-centroid distances in the range 3.886 (2)–4.018 (1) Å, together with C—H⋯π contacts, forming a three-dimensional network.

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“…as in ligand 7). 93,94 Metallogrids can most simply be prepared by the reaction of a preformed ligand and a source of labile metal ions in a suitable solvent 30,31,33,34,[95][96][97] (e.g. ligands 1-12) and it has also proven possible to use mixtures of ligands, thereby allowing the formation of rectangular [m x n] grids).…”

Section: General Design Principles Of Metallogrid Complexesmentioning

confidence: 99%

Metallosupramolecular grid complexes: towards nanostructured materials with high-tech applications

Hardy

2013

Chem. Soc. Rev.

124

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Metallosupramolecular grid complexes (hereafter referred to as metallogrids) are well-defined oligonuclear metal ion complexes involving essentially planar arrays of the metal ions sited at the points of intersection of square or rectangular metallogrids and possess a variety of interesting optical, electronic, magnetic and supramolecular properties. Herein I aim to give the reader an overview of the synthesis, properties and potential for a variety of high-tech applications of metallogrids.

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Novel pyrazolate-based copper(II) [2×2] grid complexes: Synthesis, structure and properties

Cited by 14 publications

References 40 publications

Dinuclear Nickel(II) and Copper(II) Complexes of 8‐Quinoline‐1H‐pyrazole‐3‐carboxamide: Crystal Structure, Magnetic Properties, and DFT Calculations

Dinuclear Nickel(II) and Copper(II) Complexes of 8‐Quinoline‐1H‐pyrazole‐3‐carboxamide: Crystal Structure, Magnetic Properties, and DFT Calculations

(3-Acetyl-4-methyl-1H-pyrazol-1-ide-5-carboxylato)bis(1,10-phenanthroline)nickel(II) 3.5-hydrate

Metallosupramolecular grid complexes: towards nanostructured materials with high-tech applications

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