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Relevant academic research and scientific papers

The structural and electronic impact on the photophysical and biological properties of a series of CuI and AgI complexes with triphenylphosphine and pyrimidine-type thiones

Four CuI and three AgI mixed-ligand complexes containing a heterocyclic pyrimidine-type thione (pymtH = pyrimidine-2-thione or dmpymtH = 4,6-dimethyl-pyrimidine-2-thione) and triphenylphosphine (PPh3) have been synthesized and structurally characterized. All copper and two of the silver compounds, namely [Cu(PPh3)2(pymtH)2]BF4 (1), [Cu(PPh3)3(pymtH)]BF4 (2), [Cu(PPh3)2(dmpymtH)2]BF4 (3), [Cu(PPh3)3(dmpymtH)]BF4 (4), [Ag(PPh3)3(pymtH)]NO3 (5) and [Ag(PPh3)3(dmpymtH)]NO3 (6), reveal a tetrahedral coordination environment while [Ag(PPh3)2(pymtH)]NO3 (7) preferentially adopts a trigonal planar arrangement. The stoichiometry of the isolated silver complexes does not always follow the respective stoichiometries of the synthetic procedures. The photophysical properties of all the isolated products have been evaluated. In solution, phosphine derived emission is detected while in the solid state only [Cu(PPh3)3(dmpymtH)]BF4 (4) emits from a state of different parentage. All of the complexes were also tested for in vitro antibacterial activity against four bacterial strains and for anti-inflammatory activity by measuring lipoxygenase inhibition activity.

Copper(I)/(II) or silver(I) ions towards 2-mercaptopyrimidine: An exploration of a chemical variability with possible biological implication

Direct reaction of copper(I) chloride with 2-mercaptopyrimidine (pmtH) in the presence of the triphenylphosphine (tpp) in 1:1:2 M ratio forms the mixed ligand Cu(I) complex with formula [CuCl(tpp)2(pmtH)] (1). The dimeric {[Cu(tpp)(pmt)]2 0.5(MeOH)} (2) complex was derived from the reaction of 1 with twofold molar amount of sodium hydroxide. However, the reaction of copper(II) sulfate or nitrate with pmtH and tpp in 1:2:2 M ratio, unexpectedly results in the formation of the [CuSH(tpp)2(pmtH)] (3) complex. Further studies have shown that the [Cu(tpp)2(pmt)] (4) complex is formed by reacting copper(II) acetate with pmtH in the presence of tpp in 1:2:2 M ratio, while in the absent of tpp, the Cu(CH3COO) 2 or CuSO4 is found to oxidizes pmtH to its corresponding disulfide (pmt)2. For comparison the mixed ligand silver(I) chloride or nitrate complexes with formula [AgCl(tpp)2(pmtH)] (5) or [Ag(NO3)(tpp)2(pmtH)] (6) are also synthesized by reacting of the AgCl or AgNO3 with pmtH and tpp in 1:2:2 M ratio. The complexes have been characterized by elemental analyses, m.p., vibrational spectroscopy (mid-, far-FT-IR and Raman), 1H NMR, UV-Vis, ESI-MS, TG-DTA spectroscopic techniques and single crystal X-ray crystallography at ambient conditions. Photolysis of 1-6, was also studied and the results showed formation of triphenylphosphine oxide. The complexes 1-6, were used to study their influence upon the catalytic peroxidation of the linoleic acid by the enzyme lipoxygenase (LOX) experimentally and theoretically. The binding of 1-4 with LOX was also investigated by saturation transfer difference 1H NMR experiments (STD).

Silver (I) complexes with heterocyclic thiones and tertiary phosphines as ligands. Part 3. Solution behaviour of mononuclear complexes of silver(I) nitrate. The crystal structure of bis(triphenylphosphino)bis(benzoxazoline-2-thione)silver(I) nitrate

The preparation of a series of mononuclear mixed-ligand silver(I) nitrate complexes of the general formula [Ag(PPh3)2(thione)n] [NO3] (n = 1,2; thione = pyridine-2-thione ( py2tH), pyrimidine-2-thione (pymtH), 4-methylpyrimidine-2-thione (MepymtH), 4-aminopyrimidine-2-thione (NH2pymtH), 4-hydroxypyrimidine-2-thione (OHpymtH), quinoline-2-thione (quintH), benz-1,3-thiazolidine-2-thione (btzdtH), and benz-1,3-oxazoline-2-thione (boztH) ) is described and their solid state and solution spectroscopic data reported. The crystal structure of [Ag(PPh3)2(boztH)2] [NO3] is also reported and discussed with respect to analogous complexes. The coordination geometry about the silver atom is distorted tetrahedral with mean Ag-S and Ag-P bond lengths of 2.67 and 2.49 A respectively and a nitrate ion forming hydrogen bridge with one of the thione NH-groups of the complex ion. The inequality of the Ag-S bonds together with the bulk of the thione account for the observed solution 31P NMR spectra.

Silver (I) complexes with heterocyclic thiones and tertiary phosphines as ligands part 2. Mononuclear complexes of silver(I) nitrate. The crystal structures of [Ag(PPh3)2(pytH)2]NO3 and [Ag(PPh3)2(pymtH)]NO3

The preparation and characterization of mononuclear silver(I) nitrate complexes with various heterocyclic thiones (pytH = pyridine-2-thione, pymtH = pyrimidine-2-thione, quin2tH = quinoline-2-thione, tzdtH = thiazolidine-2-thione, mbzimtH2 = N-methyl-benzimidazoline-2-thione, pur6tH = purine-6-thione) and triphenylphosphine as ligands are described. The X-ray determination of the crystal structures of [Ag(PPh3)2(pytH)2]NO3 (I) and [Ag(PPh3)2(pymtH)]NO3 (II) is also reported. Compound I crystallizes in the monoclinic system, space group P21/c, with a = 12.588(3), b = 18.234(5), c = 18.527(5) A, β = 96.29(2)°, V = 4227 A3 and Z = 4, while crystals of II are triclinic, space group P1, with a = 10.084(2), b = 13.508(3), c = 14.326(3) A, α = 77.43(2), β = 78.77(2), γ = 79.14(2)°, V = 1846 A3 and Z = 2. The coordination geometry about the silver atom is distorted tetrahedral in I, with one nitrate ion bridging two adjacent complex molecules via strong hydrogen bonds with the thione NH groups. The structure of II consists of almost trigonal-planar AgP2S units and strongly distorted nitrate ions hydrogen bonded to the protonated nitrogen atoms of the heterocyclic thione ligands. The electronic factors imposing the above difference in coordinating behavior are investigated by means of semi-empirical molecular orbital considerations.