Spectroscopic characterization of chloride and pseudohalide ruthenium(II) complexes with 4-(4-nitrobenzyl)pyridine
作者： Anna M. Maroń , Jan G. Małecki
DOI: 10.1007/S11243-014-9865-2
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摘要: Chloride, isocyanate and isothiocyanate hydride carbonyl ruthenium(II) complexes of 4-(4-nitrobenzyl)pyridine were synthesized from the precursor complex [RuHCl(CO)(PPh3)3] characterized by IR, NMR, UV–Vis spectroscopy X-ray crystallography. The electronic structures investigated means DFT calculations, based on their crystal structures. spin-allowed singlet–singlet transitions calculated time-dependent DFT, spectra are discussed this basis. emission properties studied at ambient temperature, quantum yields fluorescence, lifetimes nature excited states discussed. chloride practically nonemissive, with under 0.01 %. Interpretation spectra, supported TD-DFT indicates that in energy region, have MLCT character admixture LLCT (chloride complexes). dominant was visible case most emissive (isocyanate) complex. low values for these indicate influence metal center process.
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