Five novel complexes containing the {RuNO}(6) fragment and the anions derived from l-histidine (l-his), rac-3-amino-alanine (rac-dap), kojic acid (koj), methyliminodiacetic acid (mida), and thiodiacetic acid (tda) have been synthesised and characterised by single-crystal X-ray diffraction analysis, mass spectrometry, spectroscopic methods (NMR, UV-vis, IR) and elemental analysis. In the irradiated complexes, [Ru(NO)Cl(2)(l-his)] (1), [Ru(NO)Cl(2)(rac-dap)] (2), K[Ru(NO)Cl(3)(koj)] (3), K[Ru(NO)Cl(2)(mida)].(1/2)H(2)O (4), and K[Ru(NO)Cl(2)(tda)].H(2)O (5), the existence of the photoinduced long-lived metastable isonitrosyl state S1 and/or the side-on-bonded S2 state were detected by differential scanning calorimetry (DSC) and/or IR spectroscopy. For all complexes 1-5 full geometry optimisation, frequency analysis and calculation of the isotropic magnetic shielding tensors have been conducted in the framework of DFT theory.
In the monocationic octahedral complex, [RuCl(C6H18N4)(CO)]Cl, the ruthenium(II) centre is coordinated by a chloride and a carbonyl ligand and by the tetradentate tris(2‐aminoethyl)amine (tren) chelator. The complex has approximate non‐crystallographic Cs symmetry. In the crystal structure, N—H...Cl hydrogen bonds are found, mainly with the chloride counter‐ion as the acceptor.
In the title compound, [RuCl2(C10H8N2)2], the Ru atom is located on a crystallographic inversion center. The bipyridine (bpy) ligands are thus coordinated trans, leading to steric interactions between pairs of opposite ortho‐H atoms. The result is a marked deviation from the expected planarity of some units; the two pyridine rings of an individual bpy ligand enclose a 23.8 (1)° angle. With the RuN4 plane, the same pyridine rings enclose angles of 22.3 (1) and 21.0 (1)°. The octahedral environment of the Ru atom, however, is not markedly distorted, with the Ru—Cl axis enclosing a 87.32 (6)° angle with the RuN4 plane. In the crystal structure, the most significant intermolecular interaction, besides the expected π stacking [3.424 (3) Å perpendicular distance of parallel‐stacked rings, and 3.389 (3) Å closest ring–atom distance for an inclined contact], is a weak C—H...Cl hydrogen bond.
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