The asymmetric unit of the title compound, [Ru(C13H9N3)(C15H11N3)(H2O)](PF6)2·1.5C3H6O, consists of two crystallographically independent RuII complexes. Each complex is approximately octahedral with the RuII atom bound by an N,N′-coordinated 2-(2-pyridyl)-1,8-naphthyridine (pynp) ligand, a meridional 2,2′:6′,2′′-terpyridine (tpy) ligand and one aqua ligand. The tpy ligand is coordinated in a planar tridentate fashion with the central N atom closest to the RuII atom. The aqua ligand is trans to the pyridine N atom of pynp. The long Ru—O distances [2.150 (5) and 2.138 (5) Å] are typical for aqua ligands in polypyridyl ruthenium complexes. In the crystal, both intramolecular O—H⋯N and intermolecular O—H⋯O hydrogen bonds are observed.
Both stereoisomers of the novel ruthenium complex [Ru(tpy)(pynp)(CO)]2+ containing 2,2′:6′,2′′-terpyridine (tpy), a terminal carbonyl, and the unsymmetrical bidentate naphthyridine ligand 2-(2-pyridyl)-1,8-naphthyridine (pynp) were selectively synthesized. In addition, two more ruthenium complexes [Ru(ptpy)(pynp)(CO)]2+ containing 4′-phenyl-2,2′:6′,2′′-terpyridine (ptpy) instead of tpy were also prepared. These complexes were fully characterized and their molecular structures were determined by X-ray crystallography. Some obvious differences between the isomers were revealed by the structural, computational, and spectroscopic results. Furthermore, redox properties and carbonyl ligand-based reactions of these four complexes were examined to evaluate the steric and electronic effects of the other ligands on the carbonyl reactivity. Both effects, based on the structural differences, exerted a large influence on the reactivity.
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