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Evidence for a photoinduced isonitrosyl isomer in ruthenium dinitrosyl compounds

Abstract : Since the seminal characterisation of two photoinduced linkage isomers (PLIs) in crystals of sodium nitroprusside dihydrate Na2[Fe(CN)5(NO)]·2H2O by photocrystallography, this phenomenon has been described in a large variety of molecular mononitrosyl complexes. The two photoinduced metastable isomers consist of a κO, isonitrosyl, binding mode (MS1) and a κ 2 N,O, side-on, binding mode (MS2). We have recently detected by infrared spectroscopy various PLI states in dinitrosyl ruthenium complexes, for which only κN binding modes were characterised by photocrystallography. We provide here experimental evidences for a photoinduced isonitrosyl isomer in the [Ru(PCy3)2(NO)2Cl]BF4 (Cy=cyclohexyl) complex salt, the results being strongly supported by DFT calculations.
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Submitted on : Wednesday, November 27, 2019 - 11:12:38 AM
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Dominik Schaniel, Nicolas Casaretto, El-Eulmi Bendeif, Theo Woike, Anna Gallien, et al.. Evidence for a photoinduced isonitrosyl isomer in ruthenium dinitrosyl compounds. CrystEngComm, Royal Society of Chemistry, 2019, 21 (38), pp.5804-5810. ⟨10.1039/C9CE01119F⟩. ⟨hal-02382478⟩



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