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

• Published in: Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2018-07, Vol.74 (Pt 7), p.874-877
• Main Authors: Bibi, Naheed, Guerra, Renan Barrach, Huamaní, Luis Enrique Santa Cruz, Formiga, André Luiz Barboza
• Format: Article
• Language: English
• Subjects: crystal structure; heteroaryl-imidazole; homoleptic complex; meridional isomer; Research Communications; ruthenium(II)
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989018007995

The crystal structure of the title compound, [Ru(C H N ) ](PF ) ·3H O, a novel Ru complex with the bidentate ligand 2-(1 -imidazol-2-yl)pyrimidine, comprises a complex cation in the 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 Ru /Ru reduction at 0.87 V Ag/AgCl.