Cyclometalated complexes of ruthenium. 2. Spectral and electrochemical properties and x-ray structure of bis(2,2'-bipyridine)(4-nitro-2-(2-pyridyl)phenyl)ruthenium(II)

Synthesis, Crystal Structure, and Second‐Order Nonlinear Optical Properties of Ruthenium(II) Complexes with Substituted Bipyridine and Phenylpyridine Ligands

“…Metal-ligand bond lengths are presented in Table 1. Interestingly, and in contrast with previously reported X-ray data, [16] the Ru-C(1) distance of 2.033(4) Å is not significantly shortened with respect to the average Ru-N distance 2.036(4) Å observed for the bipyridine N(3), N(4) atoms. Nevertheless, a tendency for increased ruthenium-nitrogen bond lengths in the trans position with respect to the Ru-C bond is unambiguously seen [Ru-N(6) = 2.133(4) Å].…”

“…[16] Another, more surprising, structural feature is the angle of 37.0(3)°observed between the phenyl group carrying the nitro substituent and the pyridine ring of the phenylpyridine ligand. This rotation suggests that the nitrophenyl group is not significantly involved in the chargetransfer process in the solid state.…”

“…[12,13] In the last few years several cyclometalated counterparts of (polypyridine)ruthenium complexes have been prepared and their physical properties reported. [14][15][16][17] In fact, cyclometalated complexes have found widespread interest as species with promising properties in various research fields [15c] owing to the strong σ-donor ability of the cyclometalating ligand. Basically, replacement of a nitrogen donor by a formal carbanion donor drastically increases the electron density around the metal atom and the crystal-field strength.…”

“…[43] Due to the large size of the molecule, time-consuming vibrational analyses were not performed on the ruthenium complexes. Nevertheless, we checked that the DFT approach provides an accurate description of the molecular geometry in the case of the few previously reported [Ru(bpy)(phenpy)] + complexes, [16,19] although with a tendency for slightly inflated coordination spheres in the DFT-computed structures. The all-valence INDO (intermediate neglect of differential overlap) method [44] was employed to calculate the electronic transitions in order to analyze the origin of the charge transfer at the atomic level.…”

A new cycloruthenated complex: Synthesis, characterization and colorimetric detection of bisulphite in water

“…Further details of the crystal data, data collection, structure solution, and refinement parameters are summarized in Table 1. Selected bond distances and angles are collected in Table 2 (1) bond length is indeed the most noticeable geometrical change introduced by the coordination sphere of the metal atom in the presence of a carbon atom, in agreement with the [Ru(bpy) 2 (nitrophenpy)] þ structure reported in the literature [41].…”