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

ABSTRACT: 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 octa-hedral 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 mol-ecules inter-acting with both counter-ions and NH hydrogen atoms from the complex. The supra-molecular 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.

SUBMITTER: Bibi N 

PROVIDER: S-EPMC6038643 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature

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Crystal structure, electrochemical and spectroscopic investigation of <i>mer</i>-tris-[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i><sup>3</sup>)pyrimidine-κ<i>N</i><sup>1</sup>]ruthenium(II) bis-(hexa-fluorido-phosphate) trihydrate.

Bibi Naheed N   Guerra Renan Barrach RB   Huamaní Luis Enrique Santa Cruz LESC   Formiga André Luiz Barboza ALB  

Acta crystallographica. Section E, Crystallographic communications 20180605 Pt 7

The crystal structure of the title compound, [Ru(C<sub>7</sub>H<sub>6</sub>N<sub>4</sub>)<sub>3</sub>](PF<sub>6</sub>)<sub>2</sub>·3H<sub>2</sub>O, a novel Ru<sup>II</sup> complex with the bidentate ligand 2-(1<i>H</i>-imidazol-2-yl)pyrimidine, comprises a complex cation in the <i>meridional</i> form exclusively, with a distorted octa-hedral 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  ...[more]

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