Naslov
Interplay between the structural and magnetic probes in elucidation of the structure of novel 2D layered V4O4(OH)2(O2CC6H4CO2)4•DMF

Autori
Djerdj, Igor

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Skup
22. Croatian-Slovenian Crystallographic Meeting

Mjesto i datum
Biograd na Moru, Hrvatska, 13.06.2013. - 15.06.2013

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Domaća recenzija

Ključne riječi
Structural characterization; 2D compound

Sažetak
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, thermal and chemical analysis elucidated the chemical, structural and microstructural features of 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. [V4O4(OH)2(O2CC6H4CO2)4•DMF] crystallizes in the monoclinic system (space group P2/m (No. 10)) ; cell parameters: a = 20.923(4), b = 5.963(4), c = 20.425(1) Å,  = 123.70(6)º, V = 2120.1(9) Å3, 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 (V4+) and distorted corner-shared square pyramids (V5+). 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 V4O4(OH)2(O2CC6H4CO2)4•DMF can be described by a linear antiferromagnetic chain model, with the isotropic exchange interaction of J = −75 K between the nearest V4+ neighbours of S = 1/2.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

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