Search results for "Crystal structures"
showing 10 items of 36 documents
Interaction of Novel Metal Complexes with DNA: Synthetic and Structural Aspects
2009
Metal ions bind to nucleic acids at various positions. This binding can be modulated by using metal complexes with appropriate ligands. Novel mono- and especially dinuclear metal complexes could be a powerful tool to detect rare, but still physiologically relevant, forms of DNA, e.g. the left-handed Z-DNA. In this review, our recent research activities in this area of bioinorganic chemistry are summarized. A special emphasis is laid on the synthetic challenges that arose upon the synthesis of the polyamine ligands. Further, some rather unusual approaches to elucidate the solution structure of copper bound to guanosine monophosphate with the help of pulsed EPR techniques like ENDOR and HYSC…
Water soluble organometallic small molecules as promising antibacterial agents: synthesis, physical-chemical properties and biological evaluation to …
2022
This work was supported by the Spanish Ministerio de Economia y Competitividad (PID2019-106832RB-100, and SAF2017-82261-P grant cofounded by the European Regional Development Fund) and the Generalitat de Catalunya (2017SGR1720). J. A. M. Xavier acknowledges DOC-FAM program under the Marie Sklodowska-Curie grant agreement N degrees 754397. A. B. Buades, M. Nuez and J. A. M. Xavier are enrolled in the PhD program of the UAB.
Magnetic Molecular Conductors Based on Bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) and the Tris(chlorocyananilato)ferrate(III) Complex
2019
Electrocrystallization of the bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) organic donor in the presence of the [Fe(ClCNAn)3]3– tris(chlorocyananilato)ferrate(III) paramagnetic anion in different stoichiometric ratios and solvent mixtures afforded two different hybrid systems formulated as [BEDT-TTF]4[Fe(ClCNAn)3]·3H2O (1) and [BEDT-TTF]5[Fe(ClCNAn)3]2·2CH3CN (2) (An = anilato). Compounds 1 and 2 present unusual structures without the typical segregated organic and inorganic layers, where layers of 1 are formed by Λ and Δ enantiomers of the anionic paramagnetic complex together with mixed-valence BEDT-TTF tetramers, while layers of 2 are formed by Λ and Δ enantiomers of the paramagnetic…
Synthesis, crystal structure and magnetic properties of a new cyanide-bridged mixed-valence copper(I)/copper(II) clathrate
2013
A unique cyanide-bridge mixed-valence CuI/CuII clathrate of formula [CuI2(CN)3][{CuII(tren)}2(μ-CN)](CF3SO3)2 [tren = tris(2-aminoethyl)amine] containing cyanide-bridged [{CuII(tren)}2(μ-CN)]3 + binuclear cations stacked between anionic honeycomb layered copper(I) cyanide networks, was synthesized and structurally characterized by single crystal X-ray diffraction. Variable-temperature magnetic susceptibility studies showed that the cyanide bridge mediates a strong antiferromagnetic interaction between the copper(II) centers (J = − 160 cm− 1, the spin Hamiltonian being defined as H = − JSA⋅SB).
A polymeric two-dimensional mixed-metal network. Crystal structure and magnetic properties of {[P(Ph)4][MnCr(ox)3]}
1994
Abstract The mixed-metal ferromagnet {[P(Ph) 4 ][MnCr(ox) 3 ]} n , where Ph is phenyl and ox is oxalate, has been prepared and a two-dimensional network structure, extended by Mn(II)-ox-Cr(III) bridges, has been determined from single crystal X-ray data. Crystal data: space group R 3 c , a = b =18.783(3), c =57.283(24) A, α=β=90, γ=120°, Z =24 (C 30 H 20 O 12 PCrMn). The magnetic susceptibility data obey the Curie-Weiss law in the temperature range 260–20 K with a positive Weiss constant of 10.5 K. The temperature dependence of the molar magnetization exhibits a magnetic phase transition at T c =5.9 K. The structure is discussed in relation to the strategy for preparing molecular based ferr…
The key role of hydrogen bonding in the nuclearity of three copper(II) complexes with hydrazone-derived ligands and nitrogen donor heterocycles
2011
International audience; Three new Cu(II) complexes of formula [Cu(L1)(pyz)(CH3OH)]ClO4 (1), [Cu(L1)(4,4′-bpy)(ClO4)]·0.5H2O (2) and [{Cu(L2)(ClO4)}2(μ-4,4′-bpy)] (3) have been synthesised by using pyrazine (pyz) and 4,4′-bipyridine (4,4′-bpy) and tridentate O,N,O-donor hydrazone ligands, L1H and L2H, obtained by the condensation of 1,1,1-trifluoro-2,4-pentanedione with salicyloylhydrazide and benzhydrazide, respectively. The ligands and their complexes have been characterized by elemental analyses, FT-IR, and UV–Vis spectroscopies. Single crystal X-ray structure analysis evidences the metal ion in a slightly deformed square pyramidal geometry in all the complexes. However complexes 1 and 2 …
Ruthenium‐assisted tellurium abstraction in bis(thiophen‐2‐yl) ditelluride
2023
The reaction of [RuCl2(CO)3]2 and Te2Tpn2 (Tpn = thiophen-2-yl, C4H3S) in the absence of light resulted in the formation of cct-[RuCl2(CO)2(TeTpn2)2] (1) [cis(Cl)-cis(CO)-trans(TeTpn2)] and TeTpn2 (2) together with the precipitation of tellurium. The complex 1 and the monotelluride 2 were characterized by NMR spectroscopy and single-crystal X-ray diffraction. The decomposition of Te2Tpn2 to TeTpn2 has been monitored by 125Te NMR spectroscopy and seemed to be faster than the ligand substitution in [RuCl2(CO)3]2 by TeTpn2. A catalytic cycle is proposed for the decomposition of Te2Tpn2 to TeTpn2 based on the PBE0-D3/def2-TZVP calculations. peerReviewed
Ionic liquid crystals based on 3-perfluoalkyl-1,2,4-triazol-4-ium salts
2016
Liquid-crystalline ionic liquids (LC-ILs) are a class of organic materials that of great current interest: they are defined as organic salts that possess the properties of two interesting kinds of material – ionic liquids (ILs) and liquid crystals (LCs). LC-ILs combine many interesting features of ILs (e.g. low volatility and the ability to dissolve solutes with a range of polarities) as well as many attractive properties of LCs (e.g. their intrinsic order and anisotropy). This provides unique opportunities that can be exploited in many different fields, for example their use as solvents for extraction processes as well as electrolytes for batteries, fuel cells, and dye-sensitised solar cel…
A novel dimer of oxo-di(acetato)-bridged manganese(III) dimers complex of potential biological significance
2000
[EN] Assembly of the tetranuclear oxomanganese(III) acetato cluster [Mn4O2(O2CMe)(7)(phen)(2)](BF4) from the dinuclear oxo-di(acetato)bridged manganese(III) species [Mn2O(O2CMe)(2)(H2O)(2)(phen)(2)](BF4)(2) . 3H(2)O in aqueous/acetic acid MeOH solution occurs via the new 'dimer of dimers' Mn-III complex [Mn2O(O2CMe)(3)(H2O)(phen)(2)](BF4) . MeOH possesing an unprecedent [Mn-4(mu-O)(2)(mu-O2Me)(4) (mu-(OH2O2CMe)-O-...)(2)] core.
Transition state mimics are valuable mechanistic probes for structural studies with the arginine methyltransferase CARM1
2017
Coactivator associated arginine methyltransferase 1 (CARM1) is a member of the protein arginine methyltransferase (PRMT) family and methylates a range of proteins in eukaryotic cells. Overexpression of CARM1 is implicated in a number of cancers, and it is therefore seen as a potential therapeutic target. Peptide sequences derived from the well-defined CARM1 substrate poly(A)-binding protein 1 (PABP1) were covalently linked to an adenosine moiety as in the AdoMet cofactor to generate transition state mimics. These constructs were found to be potent CARM1 inhibitors and also formed stable complexes with the enzyme. High-resolution crystal structures of CARM1 in complex with these compounds co…