An unprecedented 1:1:1 complex [VO(bipy)(cit[H]H)]·1. 5H2O was obtained from the reaction of vanadium(III) chloride, 2,2′-bipyridine (bipy), and citric acid (cit[H]H3) in methyl alcohol/water. The citrate anion (cit[H]H)2- chelates the metal centre as a tridentate ligand via the unusually protonated α-alcoholic group, and two oxygen atoms from the α- and one β-carboxylate groups, the other β-carboxylic acid group remaining uncoordinated. A pseudo-octahedral coordination sphere is completed by a bidentate bipy unit. The electronic nature of this complex is investigated by means of DFT calculations.
First Example of 1:1 Vanadium (IV)-Citrate Complex Featuring 2,2'-Bipyridine Co-ligand: Synthesis, X-Ray Crystal Structure and DFT Calculations
ARCA, MASSIMILIANO;ARAGONI, MARIA CARLA;LIPPOLIS, VITO;
2013-01-01
Abstract
An unprecedented 1:1:1 complex [VO(bipy)(cit[H]H)]·1. 5H2O was obtained from the reaction of vanadium(III) chloride, 2,2′-bipyridine (bipy), and citric acid (cit[H]H3) in methyl alcohol/water. The citrate anion (cit[H]H)2- chelates the metal centre as a tridentate ligand via the unusually protonated α-alcoholic group, and two oxygen atoms from the α- and one β-carboxylate groups, the other β-carboxylic acid group remaining uncoordinated. A pseudo-octahedral coordination sphere is completed by a bidentate bipy unit. The electronic nature of this complex is investigated by means of DFT calculations.
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