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- cis-Aquabis[bis(diphenylphosphino)ethane-j2P,P000]chlororuthenium(II) hexafluorophosphate dichloromethane sesquisolvate hemihydratePublication . Russo, Luca; Figueira, João; Rodrigues, João; Rissanen, Kari
- Trans-Bis[bis(diphenylphosphino)methane-κ2P,P′]dichlororuthenium(II) dichloromethane disolvate acetone hemisolvate hemihydratePublication . Figueira, João; Rodrigues, João; Rissanen, Kari
- Three 2,5-dialkoxy-1,4-diethynylbenzene derivativesPublication . Figueira, João; Rodrigues, João; Russo, Luca; Rissanen, Kari2,5-Diethoxy-1,4-bis[(trimethylsilyl)ethynyl]benzene, C(20)H(30)O(2)Si(2), (I), constitutes one of the first structurally characterized examples of a family of compounds, viz. the 2,5-dialkoxy-1,4-bis[(trimethylsilyl)ethynyl]benzene derivatives, used in the preparation of oligo(phenyleneethynylene)s via Pd/Cu-catalysed cross-coupling. 2,5-Diethoxy-1,4-diethynylbenzene, C(14)H(14)O(2), (II), results from protodesilylation of (I). 1,4-Diethynyl-2,5-bis(heptyloxy)benzene, C(24)H(34)O(2), (III), is a long alkyloxy chain analogue of (II). The molecules of compounds (I)-(III) are located on sites with crystallographic inversion symmetry. The large substituents either in the alkynyl group or in the benzene ring have a marked effect on the packing and intermolecular interactions of adjacent molecules. All the compounds exhibit weak intermolecular interactions that are only slightly shorter than the sum of the van der Waals radii of the interacting atoms. Compound (I) displays C-H...pi interactions between the methylene H atoms and the acetylenic C atom. Compound (II) shows pi-pi interactions between the acetylenic C atoms, complemented by C-H...pi interactions between the methyl H atoms and the acetylenic C atoms. Unlike (I) or (II), compound (III) has weak nonclassical hydrogen-bond-type interactions between the acetylenic H atoms and the ether O atoms.
- 4,4′-[Thiophene-2,5-diylbis(ethyne-2,1-diyl)]dibenzonitrilePublication . Figueira, João; Vertlib, Viatslav; Rodrigues, João; Nättinen, Kalle; Rissanen, KariIn 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.
- cis-[Bis(diphenylphosphino)ethane-κ2P,P′]dichlororuthenium(II) dichloromethane disolvatePublication . Russo, Luca; Figueira, João; Rodrigues, João; Rissanen, Kari
- A trinuclear aqua cyano-bridged ruthenium complex [{(η5-C5H5)(PPh3)2Ru(μ-CN)}2RuCl2(PPh3)(H2O)]PF6: synthesis, characterization and crystal structurePublication . Vertlib, Viatcheslav; Figueira, João; Mesquita, José; Rodrigues, João; Nättinen, Kalle; Rissanen, KariThe 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.