<i>catena</i>-Poly[copper(II)-μ-aqua-di-μ-benzotriazole]

The metal-organic framework [Cu(ta)(2)] (Hta = 1H-1,2,3-triazole), containing Jahn-Teller active Cu(II) ions and 1,2,3-triazolate ligands, is prepared under solvothermal reaction conditions. The compound shows a reversible phase transition from the tetragonal crystal system (α-[Cu(ta)(2)]: space group I4(1)/amd (no. 141), a = 11.8447(7) Å, c = 18.9782(13) Å, V = 2662.6(3) Å(3)) to the cubic crystal system (β-[Cu(ta)(2)]: space group Fd3m (no. 227), a = 17.4416(15) Å, V = 5305.9(8) Å(3)) within the temperature range of 120-160 °C. Both [Cu(ta)(2)] polymorphs have identical bonding topologies that might be described as fully condensed Kuratowski-type pentanuclear secondary building units of local T(d) point group symmetry in which four Cu(II) ions occupy the vertices of an imaginary tetrahedron. α-[Cu(ta)(2)], as opposed to the high-temperature β-phase, shows a strong tetragonal Jahn-Teller distortion of CuN(6) coordination octahedra. The compounds are characterized by elemental and thermogravimetric analyses, single crystal and powder X-ray diffraction, FTIR-, UV-vis and fluorescence spectroscopy. Magnetic susceptibility investigations reveal two different Cu(II) sites at a ratio of 1 : 2, in agreement with the solid state structure of [Cu(ta)(2)]. At low temperatures the formation of antiferromagnetically coupled Cu(II) dimers is observed, leading to a spin frustration of roughly 1/3 of all magnetically active Cu(II) sites.

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CuN6 Jahn–Teller centers in coordination frameworks comprising fully condensed Kuratowski-type secondary building units: phase transitions and magneto-structural correlations

Grzywa

Denysenko

Hanss

et al. 2012

Dalton Trans.

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XPES of 1,2,3-benzotriazole nanolayers formed on iron surface

Kazanskii

Selyaninov

2010

Prot Met Phys Chem Surf

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Steric control of supramolecular association in structures of Zn(S₂COR)₂withN,N′-bis(pyridin-4-ylmethyl)oxalamide

Tan

Chun

Jotani³

et al. 2018

Zeitschrift Für Kristallographie - Crystalline Materials

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The crystal and molecular structures of the one-dimensional coordination polymer [Zn(S2COEt)2(4LH2)]n (1) and binuclear [Zn(S2COCy)2]2(4LH2) (2) are described, where 4LH2 is N,N′-bis(pyridin-4-ylmethyl)ethanediamide. In 1, the Zn(S2COEt)2 entities are linked by bidentate bridging 4LH2 ligands through the pyridyl-N atoms to generate a twisted supramolecular chain. As a result of monodentate xanthate ligands, the N2S4 donor set defines a distorted tetrahedral coordination geometry and, crucially, allows the participation of the non-coordinating sulfur atoms in supramolecular association. Thus, in the crystal amide-N–H···O(amide) and amide-N–H···S(thione) hydrogen bonds link chains into a three-dimensional architecture. The substitution of the ethyl group in the xanthate ligand with a cyclohexyl group results in very different structural outcomes. In 2, a binuclear molecule is observed with the coordination geometry for zinc being defined by chelating xanthate ligands and a pyridyl-N atom with the NS4 donor set defining a highly distorted geometry. In the molecular packing, amide-N–H···S(thione) hydrogen bonds stabilise a supramolecular chain along the a-axis and these are connected into a three-dimensional arrangement by methylene-C–H···O and methylene-C–H···π(pyridyl) interactions. The relative importance of the specified intermolecular interactions and weaker, contributing contacts has been revealed by an analysis of the calculated Hirshfeld surfaces of 1 and 2.

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catena-Poly[copper(II)-μ-aqua-di-μ-benzotriazole]

Cited by 3 publications

References 11 publications

CuN6 Jahn–Teller centers in coordination frameworks comprising fully condensed Kuratowski-type secondary building units: phase transitions and magneto-structural correlations

CuN6 Jahn–Teller centers in coordination frameworks comprising fully condensed Kuratowski-type secondary building units: phase transitions and magneto-structural correlations

XPES of 1,2,3-benzotriazole nanolayers formed on iron surface

Steric control of supramolecular association in structures of Zn(S₂COR)₂withN,N′-bis(pyridin-4-ylmethyl)oxalamide

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catena-Poly[copper(II)-μ-aqua-di-μ-benzotriazole]

Cited by 3 publications

References 11 publications

CuN6 Jahn–Teller centers in coordination frameworks comprising fully condensed Kuratowski-type secondary building units: phase transitions and magneto-structural correlations

CuN6 Jahn–Teller centers in coordination frameworks comprising fully condensed Kuratowski-type secondary building units: phase transitions and magneto-structural correlations

XPES of 1,2,3-benzotriazole nanolayers formed on iron surface

Steric control of supramolecular association in structures of Zn(S2COR)2withN,N′-bis(pyridin-4-ylmethyl)oxalamide

Contact Info

Product

Resources

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Steric control of supramolecular association in structures of Zn(S₂COR)₂withN,N′-bis(pyridin-4-ylmethyl)oxalamide