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Interplay Between the Structural and Magnetic Probes in the Elucidation of the Structure of a Novel 2D Layered [V4O4(OH)2(O2CC6H4CO2)4]·DMF

Interplay Between the Structural and Magnetic Probes in the Elucidation of the Structure of a Novel 2D Layered [V4O4(OH)2(O2CC6H4CO2)4]·DMF

Igor Djerdj, Srečo D Škapin, Miran Ceh, Zvonko Jagličić, Damir Pajić, Bojan Kozlevčar, Bojan Orel, Zorica Crnjak Orel

Dalton Trans. 2012 Jan 14;41(2):581-9.

PMID: 22042096

Abstract:

The title compound has been synthesized under solvothermal conditions by reacting vanadium(V) oxytriisopropoxide with terephthalic acid in N,N-dimethylformamide. A combination of synchrotron powder diffraction, infrared spectroscopy, scanning and transmission electron microscopy, and thermal and chemical analysis elucidated the chemical, structural and microstructural features of a new 2D layered inorganic-organic framework. Due to the low-crystallinity of the final material, its crystal structure has been solved from synchrotron X-ray powder diffraction data using a direct space global optimization technique and subsequent constraint Rietveld refinement. [V(4)O(4)(OH)(2)(O(2)CC(6)H(4)CO(2))(4)]·DMF crystallizes in the monoclinic system (space group P2/m (No. 10)); cell parameters: a = 20.923(4) Å, b = 5.963(4) Å, c = 20.425(1) Å, β = 123.70(6)°, V = 2120.1(9) Å(3), Z = 2. The overall structure can be described as an array of parallel 2D layers running along [-101] direction, consisting of two types of vanadium oxidation states and coordination polyhedra: face-shared trigonal prisms (V(4+)) and distorted corner-shared square pyramids (V(5+)). Both configurations form independent parallel chains oriented along the 2-fold symmetry crystallographic b-axis mutually interlinked with terephthalate ligands in a monodentate mode perpendicular to it. The morphology of the compound exhibits long nanofibers, with the growth direction along the layered [-101] axis. The magnetic susceptibility measurements show that the magnetic properties of [V(4)O(4)(OH)(2)(O(2)CC(6)H(4)CO(2))(4)]·DMF can be described by a linear antiferromagnetic chain model, with the isotropic exchange interaction of J = -75 K between the nearest V(4+) neighbours of S = 1/2.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP5588841	Vanadium(V) oxytriisopropoxide		5588-84-1	Price

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