title: Photoinduced linkage isomerism of {RuNO}(6) complexes with bioligands and related chelators.
abstract: 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.
authors.affiliation: Department für Chemie und Biochemie der Ludwig-Maximilians-Universität, Butenandtstrasse 5-13, 81377 München, Germany.
authors.forename: Anna
authors.initials: A
authors.lastname: Zangl
authors.forename: Peter
authors.initials: P
authors.lastname: Klüfers
authors.forename: Dominik
authors.initials: D
authors.lastname: Schaniel
authors.forename: Theo
authors.initials: T
authors.lastname: Woike
mesh_terms: D002152:Calorimetry, Differential Scanning; D002614:Chelating Agents / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008968:Molecular Conformation; D009569:Nitric Oxide / Q000737:chemistry*; D012428:Ruthenium / Q000737:chemistry* / Q000528:radiation effects; D013055:Spectrophotometry, Infrared; D013237:Stereoisomerism
chemical_list: D002614:Chelating Agents; D009569:Nitric Oxide; D012428:Ruthenium