Crystal structure, electrochemical and spectroscopic investigation of mer-tris[2-(1H-imidazol-2-yl-κN3)pyrimidine-κN1]ruthenium(II) bis(hexafluoridophosphate) trihydrate

The crystal structure of the title compound, [Ru(C7H6N4)3](PF6)2·3H2O, a novel RuII complex with the bidentate ligand 2-(1H-imidazol-2-yl)pyrimidine, comprises a complex cation in the meridional form exclusively, with a distorted octahedral geometry about the ruthenium(II) cation. The Ru—N bonds inv...

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Bibliographic Details
Main Authors: Naheed Bibi, Renan Barrach Guerra, Luis Enrique Santa Cruz Huamaní, André Luiz Barboza Formiga
Format: Article
Language:English
Published: International Union of Crystallography 2018-07-01
Series:Acta Crystallographica Section E: Crystallographic Communications
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Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989018007995
Description
Summary:The crystal structure of the title compound, [Ru(C7H6N4)3](PF6)2·3H2O, a novel RuII complex with the bidentate ligand 2-(1H-imidazol-2-yl)pyrimidine, comprises a complex cation in the meridional form exclusively, with a distorted octahedral geometry about the ruthenium(II) cation. The Ru—N bonds involving imidazole N atoms are comparatively shorter than the Ru—N bonds from pyrimidine because of the stronger basicity of the imidazole moiety. The three-dimensional hydrogen-bonded network involves all species in the lattice with water molecules interacting with both counter-ions and NH hydrogen atoms from the complex. The supramolecular structure of the crystal also shows that two units of the complex bind strongly through a mutual N—H...N bond. The electronic absorption spectrum of the complex displays an asymmetric band at 421 nm, which might point to the presence of two metal-to-ligand charge-transfer (MLCT) bands. Electrochemical measurements show a quasi-reversible peak referring to the RuIII/RuII reduction at 0.87 V versus Ag/AgCl.
ISSN:2056-9890