B. Machura

Contribution to investigation of antimicrobial activity of styrylquinolines.

Series of new ring-substituted styrylquinolines and two oxorhenium complexes were prepared and characterized. The compounds were analyzed using RP-HPLC to determine lipophilicity. Primary in vitro screening of the synthesized compounds was performed against fungal and bacterial strains. Some compounds were active against bacteria at micromolar level and against fungi at submicromolar level. Compounds 5,7-dichloro-2-[2-(2-ethoxyphenyl)vinyl]quinolin-8-ol expressed excellent antifungal activity comparable with or higher than the standard fluconazole as well as antibacterial activity against Staphylococcus strains comparable with or higher than the standards bacitracin, penicillin and ciprofloxacin. The structure-activity relationships are discussed.

THE SYNTHESIS, CRYSTAL, MOLECULAR AND ELECTRONIC STRUCTURES OF TRIBROMO(NITROSYL) BIS(TRIPHENYLPHOSPHINE OXIDE) RHENIUM(II) AND TRIBROMO(NITROSYL) BIS(TRIPHENYLPHOSPHINE)RHENIUM(I)

Abstract Gaseous nitric oxide reacts with a benzene solution of [ReOBr3(PPh3)2] to give [ReBr3(NO) (OPPh3)2] (1). When the reaction is carried out in the presence of an excess of free triphenyl-phosphine, the product is [ReBr3(NO)(PPh3)2] (2). The latter is also isolated in the reaction of 1 with PPh3. This paper, apart from the synthetic methods, presents spectroscopic and magneto-chemical measurements, and crystal, molecular and electronic structures for 1 and 2.

THE SYNTHESIS, CRYSTAL, MOLECULAR AND ELECTRONIC STRUCTURE OF TRICHLORO(NITROSYL)BIS(TRIPHENYL-PHOSPHINE OXIDE)RHENIUM(II)

Abstract A new rhenium nitrosyl complex has been synthesized and characterized by IR, electronic and 31P NMR spectroscopy and magnetochemical measurements. Its electronic structure has been determined (Dq = 3333, Ds = -4732 and Dt = 387cm−1). The crystal and molecular structure of [ReCl3(NO)(OPPh3)2] has been solved by the heavy atom method and refined anisotropically to R = 0.466 for 3032 unique observed reflections. The title compound crystallizes in the mono-clinic space group C2/c, with a = 13.887(2), b = 13.154(2), c = 19.629(4)A, β = 96.78(2)° and Z = 4. The Re atom is of six-coordinate distorted octahedral configuration and the linear nitrosyl ligand is trans to one of triphenylphosphine oxide molecules. The OPPh3 groups of [ReCl3(NO)(OPPh3)2] are in cis positions.

New synthetic routes to some nitrosyl rhenium complexes. Crystal, molecular and electronic structure of [ReCl3(NO)(PPh3)2] and [ReCl2(CO)(NO)(PPh3)2] complexes

Abstract The reactions of the nitrosyl rhenium(II) complex [ReCl3(NO)(OPPh3)(PPh3)] with triphenylphosphine, NaBH4 in the presence of PPh3, and CO in the presence of PPh3 were examined. The rhenium nitrosyl complexes [ReCl3(NO)(PPh3)2] (1), [ReCl2(CO)(NO)(PPh3)2] (2) and [ReH2(NO)(PPh3)3]·1/2C6H6 (3) obtained were characterised by IR, UV–Vis, NMR (1H and 31P) and magnetochemical measurements. For 1 and 2, the electronic, crystal and molecular structures were determined.

The crystal and electronic structure of the complex [ReCl4(PPh3)2]

Abstract The crystallographic structure of the complex trans-[ReCl4(PPh3)2] was determined and the spectroscopic characterization of the complex was established. Its electronic structure was also investigated (10Dq = 17,889 cm−1, Ds = −4091 cm−1, Dτ = 136 cm−1, B = 473 cm−1, C = 2175 cm−1)

Coordination assemblies of CdII with 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions – structural diversification and luminescence properties

Nine new terpy- or tppz-containing cadmium(II) coordination compounds, [Cd(μ1,5-dca)(NO3)(terpy)]n (1), [Cd(μ1,5-dca)(terpy)(H2O)]n·n(dca) (2), [Cd(μ1,3-N3)(NO3)(terpy)]n (3), [Cd(N3)(NO3)(terpy)(H2O)] (4), [Cd2(μ1,1-N3)2(N3)2(terpy)2] (5), [Cd(μ1,5-dca)(NO3)(tppz)]n (6), [Cd(dca)(NO3)(tppz)(H2O)] (7), [Cd2(μ1,1-N3)2(NO3)2(μ-tppz)]n·2nMeOH (8) and [Cd2(μ1,1-N3)(μ1,3-N3)(m-tppz)]n (9), have been successfully synthesized in the reaction of Cd(NO3)2 with multidentate N-heterocyclic ligands and inorganic ions (N3− and N(NC)2− abbreviated as dca−). The resulting compounds were structurally characterized by single crystal X-ray diffraction analysis and further characterized by infrared spectra (IR), elemental analyses, powder X-ray diffraction (XRPD), and thermogravimetric analyses (TGA). The X-ray studies demonstrated a cooperative impact of the polypyridyl ligand and the auxiliary inorganic ion on the final molecular architectures of cadmium(II) coordination compounds. Different topologies, ranging from mononuclear molecular to two-dimensional coordination networks, were confirmed for 1–9. The photoluminescence behaviour of 1–9 was also discussed. All of these coordination compounds are luminescent in the solid state, with the emission maxima varying in the visible light region within the range of 460–600 nm. The difference in emission behaviour for 1–9 is attributed to the coordination environments of the metal ions and the rigidity of solid-state crystal packing.

High-temperature spin crossover in a mononuclear six-coordinate cobalt(II) complex.

The six-coordinate cobalt(II) complex of formula [Co(tppz)2](tcm)2 exhibits a thermally induced spin-crossover behavior from a high spin (S = 3/2) at higher temperatures to a low spin (S = ½) at lower temperatures, with the low-spin phase being achieved at T ≤ 200 K.

THE X-RAY CRYSTAL STRUCTURE OF RE(NO)(PH)BR3(PPH3) COMPLEX

Abstract The new rhenium organometallic complex, [Re(NO)(Ph)Br 3 (PPh 3 )], has been characterized by single-crystal X-ray diffraction. The complex was obtained as a by-product in the reductive nitrosylation of [ReOBr 3 (PPh 3 ) 2 ] with gaseous NO.

Reactivity of [ReOX3(AsPh3)2] (X = Cl, Br) complexes towards gaseous nitric oxide. Crystal, molecular and electronic structure of [ReBr3(NO)(OAsPh3)2], [ReCl3(NO)(AsPh3)2][ReCl4(AsPh3)2], [ReCl4(OASPh3)2] and [ReBr3(NO)(AsPh3)2]

Abstract The reactions of the complexes [ReOX 3 (AsPh 3 ) 2 ] (X=Cl, Br) with gaseous nitric oxide and the reactions of the compounds [NBu 4 ] 2 [ReX 5 (NO)] (X=Cl, Br) with an excess of triphenylarsine have been examined. [ReOBr 3 (AsPh 3 ) 2 ] reacts with nitric oxide to give mer , cis -[ReBr 3 (NO)(OAsPh 3 ) 2 ] ( 1 ), whereas the reaction of the chlorine oxocomplex with NO leads to three products: [ReCl 3 (NO)(OAsPh 3 ) 2 ] ( 2 ), mer , trans -[ReCl 3 (NO)(AsPh 3 ) 2 ][ReCl 4 (AsPh 3 ) 2 ] ( 3 ) and cis -[ReCl 4 (OAsPh 3 ) 2 ] ( 4 ). The compounds [NBu 4 ] 2 [ReX 5 (NO)] (X=Cl, Br) react with an excess of AsPh 3 to give 3 and mer , trans -[ReBr 3 (NO)(AsPh 3 ) 2 ] ( 5 ), respectively. The complexes obtained in these reactions have been characterised by IR, UV–Vis and magnetical measurements. Crystal and molecular structures have been determined for complexes 1 and 3 – 5 . EPR spectra have been recorded for compounds 1 and 5 .

Synthesis, spectroscopic characterization, X-ray structure, and DFT calculations of (Cu(tppz)(SCN) 2 )

This article presents a combined experimental and computational study of [Cu(tppz)(SCN)2], where ttpz stands for 2,3,5,6-tetra-(2-pyridyl)pyrazine. The compound has been studied by IR, UV–Vis spectroscopy, and single crystal X-ray analysis. The geometry around copper atom may be described as a distorted square pyramid. The equatorial plane is defined by three nitrogen atoms of tppz and one nitrogen atom of thiocyanate group. The apical site is occupied by nitrogen atom of the second SCN− ion. The electronic spectrum of [Cu(tppz)(SCN)2] was analyzed, and bands were assigned through the DFT/TDDFT procedures.