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A trinuclear aqua cyano-bridged ruthenium complex [{(η5-C5H5)(PPh3)2Ru(μ-CN)}2RuCl2(PPh3)(H2O)]PF6: synthesis, characterization and crystal structure

Publication . Vertlib, Viatcheslav; Figueira, João; Mesquita, José; Rodrigues, João; Nättinen, Kalle; Rissanen, Kari

The organometallic trinuclear aqua cyano-bridged complex [{(η5-C5H5)(PPh3)2Ru(µ-CN)}2RuCl2(PPh3)(H2O)]PF6 (1), in which the fragment [RuCl2(PPh3)(H2O)] acts as a bridge and an acceptor group between the two terminal cyclopentadienyl ruthenium cyano moieties, was isolated in moderate yield from the reaction of [(η5-C5H5)(PPh3)2RuCN] with [RuCl2(PPh3)3] in THF. To the best of our knowledge, compound 1 is one of the few examples of a trinuclear array of ruthenium fragments bridged by the nitrogen atom of the –C N– group (Ru–C N–Ru –N C–Ru) with a Ru-coordinated water molecule. The new aqua complex was structurally characterized by FTIR, 1H, 13C, and 31P NMR spectroscopy, mass spectrometry, elemental analysis, single-crystal X-ray diffraction, and cyclic voltammetry. The title complex crystallizes in a triclinic unit cell a = 17.3477(6) Å, b = 17.8551(5) Å, c = 18.2460(7) Å, α = 95.693(2)°, β = 111.648(2)°, and γ = 97.839(2)° in the space group P1 ¯ with Z = 2.

2007Journal article

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4,4′-[Thiophene-2,5-diylbis(ethyne-2,1-diyl)]dibenzonitrile

Publication . Figueira, João; Vertlib, Viatslav; Rodrigues, João; Nättinen, Kalle; Rissanen, Kari

In the solid state, the title compound, C(22)H(10)N(2)S, forms centrosymmetric dimers by pairs of non-classical C-H⋯S hydrogen bonds linking approximately coplanar mol-ecules. The benzene ring involved in this inter-action makes a dihedral angle of only 7.21 (16)° with the thio-phene ring, while the other benzene ring is twisted somewhat out of the plane, with a dihedral angle of 39.58 (9)°. The hydrogen-bonded dimers stack on top of each other with an inter-planar spacing of 3.44 Å. C-H⋯N hydrogen bonds link together stacks that run in approximately perpendicular directions. Each mol-ecule thus inter-acts with 12 adjacent mol-ecules, five of them approaching closer than the sum of the van der Waals radii for the relevant atoms. Optimization of the inter-stack contacts contributes to the non-planarity of the mol-ecule.

2008Journal article

Open access