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

Author(s)

Bibi, Naheed ; Guerra, Renan Barrach ; Santa Cruz Huamani, Luis Enrique ; Barboza Formiga, Andre Luiz

• Document type: Journal article
• Source: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS; v. 74, p. 11-pg., 2018-07-01.

Abstract

The crystal structure of the title compound, [Ru(C7H6N4)(3)](PF6)(2)center dot 3H(2)O, a novel Ru II 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 center dot center dot center dot 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 chargetransfer (MLCT) bands. Electrochemical measurements show a quasi-reversible peak referring to the Ru III /Ru II reduction at 0.87 V versus Ag/AgCl. (AU)

• FAPESP's process: 14/50906-9 - INCT 2014: in Functional Complex Materials
• Grantee: Fernando Galembeck
• Support Opportunities: Research Projects - Thematic Grants
• FAPESP's process: 13/22127-2 - Development of novel materials strategic for integrated analytical devices
• Grantee: Lauro Tatsuo Kubota
• Support Opportunities: Research Projects - Thematic Grants