Article ID Journal Published Year Pages File Type
1306533 Inorganica Chimica Acta 2011 8 Pages PDF
Abstract

Solid state and solution 51V and 13C NMR studies on four fundamental bisperoxovanadium complexes containing bidendate donor ligands were reported, together with DFT calculations of structural and NMR parameters. The 51V solid-state NMR characterization of the four complexes with [VO(O2)2L]n− anion {abbr. bpVL, where L = oxalic acid dianion (ox), pyridine-2-carboxylic acid (pic), bipyridine (bipy), and 1,10-phenanthroline (phen)} show that the ligands have a significant effect on the electric-field gradient tensor, with the quadrupolar coupling constant ranging from 4.0 to 5.8 MHz. The experimental and theoretical results suggest that the vanadium center of bpVpic, bpVphen and bpVbipy in solid state and aqueous solution are all seven-coordinated except that bpVox is six-coordinated in aqueous solution. The steric space hindrance of the organic ligands and the bonding between vanadium with the coordination influences the activity of bpVL complexes.

Graphical abstractSolid state and solution 51V and 13C NMR studies on four bisperoxovanadium complexes containing bidendate donors were reported, together with DFT calculations of structural and NMR parameters. The results suggested that the ligands have an effect on the electric-field gradient tensor and the coordination of vanadium. The bonding between vanadium and coordination atoms influences the activity of bisperoxovanadium complexes.Figure optionsDownload full-size imageDownload as PowerPoint slide

Related Topics
Physical Sciences and Engineering Chemistry Inorganic Chemistry
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