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A new diperoxovanadium compound, [NH 4 ][VO(O 2 ) 2 (pm-im)]⋅3H 2 O ( 1 ) (pm-im = 2-(1 H -imidazol-2-yl)pyrimidine), has been prepared from aqueous solution and its crystal structure has been determined by single-crystal X-ray diffraction. It belongs to the monoclinic  P 2 1 / n  space group with  a  = 6.798(4) Å,  b  = 11.468(6) Å,  c  = 18.073(9) Å,  β  = 96.020(6)°,  V  = 1401.3(13) Å 3 , and  Z  = 4. The asymmetric unit of  1  consists of a diperoxovanadium [VO(O 2 ) 2 (pm-im)] −  anion, one free NH 4+  counterion, and three lattice water molecules, which are further stacked to form a three-dimensional (3D) supramolecular structure through intra- and intermolecular hydrogen bond interactions. The solution stability of the ion ([VO(O 2 ) 2 (pm-im)] − ) was explored using a combination of multinuclear ( 1 H,  13 C, and  51 V) magnetic resonance and variable temperature NMR in a 0.15 mol L −1  NaCl/D 2 O solution that mimics physiological conditions. Additionally, the compound exhibits significant DNA cleavage ability under light, and the electrophoretic result shows that the super helix DNA seems to be directly cleaved into single stranded DNA.

journal of coordination chemistry

Crystal structure and DNA cleavage properties of a vanadium complex [NH 4 ][VO(O 2 ) 2 (pm-im)]⋅3H 2 O containing 2-(1 H -imidazol-2-yl)pyrimidine ligand