A5004968956- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Crystal structures of chemical compounds
- Metal complexes synthesis and properties
- Magnetism in coordination complexes
- Crystallography and molecular interactions
- Synthesis and biological activity
- Phenothiazines and Benzothiazines Synthesis and Activities
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Synthesis and Reactivity of Heterocycles
- Synthesis and Characterization of Heterocyclic Compounds
- Synthesis of Organic Compounds
- Metal-Organic Frameworks: Synthesis and Applications
- Synthesis and Reactions of Organic Compounds
- Metal-Catalyzed Oxygenation Mechanisms
- Chemical Synthesis and Analysis
- Lanthanide and Transition Metal Complexes
- Carbohydrate Chemistry and Synthesis
- Organic and Molecular Conductors Research
- Organometallic Complex Synthesis and Catalysis
- Inorganic and Organometallic Chemistry
- Synthesis of heterocyclic compounds
- Fluorine in Organic Chemistry
- Organometallic Compounds Synthesis and Characterization
- Free Radicals and Antioxidants
Slovak University of Technology in Bratislava
2016-2025
Institute of Food Science and Technology
2018-2021
Institute of Physical Chemistry
2017
Oxford University Press (United Kingdom)
2013
University of Warsaw
2012
Centre National de la Recherche Scientifique
2009-2011
Laboratoire de Chimie de Coordination
2011
Jagiellonian University
2011
Massey University
2011
University at Buffalo, State University of New York
2010
Abstract Two different absorption correction methods were compared in order to find out which method is preferable improve solving and refining a crystal structure. Experiments performed on the of tetrakis(μ 2 -acetato)-diaqua-di-copper(II) complex. The first used was numerical with aid crystal-shape model, other semi-empirical one, applying scaling routines intensity data.
The development of new photochromic systems is motivated by the possibility controlling properties and functions materials with high spatial temporal resolution in a reversible manner. While there are several classes photoswitches operating solution, design efficiently solid state remains highly challenging, mainly due to limitations related confinement effects. Triaryl-hydrazones represent relatively subclass bistable hydrazone exhibiting efficient Z/E photochromism solution. As "large...
Mixed ligand copper(II) complexes containing derivatives of salicylic acid and heterocyclic ligands with nitrogen donor atoms have been the subject various studies reviews. In this paper, synthesis characterization ternary neocuproine (2,9-dimethyl-1,10-phenanthroline, Neo) salicylate (Sal) are reported. addition, crystal structures ([Cu(H2O)(5-Cl-Sal)(Neo)] (1), [Cu(μ-Sal)(Neo)]2 (2), Cu2(μ-5-Cl-Sal)(5-Cl-HSal)2(Neo)2]·EtOH (3)) were determined. order to compare structural biological...
Abstract Mononuclear copper(II) salen‐type Schiff base complexes, Cu II L 1–5 [H 2 1 to H 5 = tetradentate N , O ligands derived from 2‐hydroxybenzaldehyde, 2,4‐dihydroxybenzaldehyde, 3,5‐dibromo‐2‐hydroxybenzaldehyde, 2‐hydroxy‐5‐nitrobenzaldehyde, 5‐chloro‐2‐hydroxybenzaldehyde and 1,3‐bis(3‐aminopropyl)tetramethyldisiloxane, respectively] were prepared in situ the presence of a salt or by direct complexation between presynthesised base. The compounds {CuL CuL · 0.5Py, 0.375CH Cl (CuL 3...
Six dinuclear vanadium(V) complexes have been synthesized: NH4[(VO2)2((H)LH)] (NH4[1]), NH4[(VO2)2((t-Bu)LH)] (NH4[2]), NH4[(VO2)2((Cl)LH)] (NH4[3]), [(VO2)(VO)((H)LH)(CH3O)] (4), [(VO2)(VO)((t-Bu)LH)(C2H5O)] (5), and [(VO2)(VO)((Cl)LH)(CH3O)(CH3OH/H2O)] (6) (where (H)LH4 = 1,5-bis(2-hydroxybenzaldehyde)carbohydrazone, (t-Bu)LH4 1,5-bis(3,5-di-tert-butyl-2-hydroxybenzaldehyde)carbohydrazone, (Cl)LH4 1,5-bis(3,5-dichloro-2-hydroxybenzaldehyde)carbohydrazone). The structures of NH4[1] 4-6...
The experimental electron density distributions in two coordination compounds – one with a central Cu(I) atom and the other Cu(II), coordinated by same biphenyldiimino dithioether ( bite ) type of ligand have been obtained from high-resolution X-ray reflection data to model possible predisposition for redox reaction blue copper proteins. has adapted conformation required atom.
To study the experimental electronic structure, exact position of nonhydrogen atoms in starting geometry is necessary. In this paper, we compare results structure obtained using full data set [low-order (sinθ/λ < 0.7 Å −1 ) together with high-order > diffraction data] and based on low-order reflections only. The initial atomic displacement parameters were from NospherA2 software when data. If approach meaningful, it reduces measurement to acquisition time by a factor 7:1. Thus showing...
A novel heteronuclear exchange-coupled complex [Cr(III)[(CN)Fe(III)((5)L)](3)(CN)(3)] containing a pentadentate blocking ligand (5)L was synthesized. The X-ray structure shows that meridional isomer applies with inequivalent Fe(III) centers. exhibits thermally induced spin crossover along the exchange coupling. Mössbauer spectra indicate transition between S = (1)/(2) and (5)/(2) states although considerable amount of centers stays high-spin at T 6 K. magnetization, magnetic susceptibility,...
Abstract This review summarizes data for all known tricyanomethanide and dicyanamide compounds of copper(II), nickel(II) cobalt(II). The possible bonding modes [C(CN)3]− [N(CN)2]− ions their influence on infrared spectra are demonstrated. Preparative methods briefly described structural crystallographically characterized given. Data electronic ESR spectra, magnetic susceptibilities, vibrational ESCA reviewed consequences following from these techniques characteristics discussed. most...
The extension of the X-ray constrained (XC) wavefunction approach to open-shell systems using unrestricted Hartree-Fock formalism is reported. XC method also extended include relativistic effects scalar second-order Douglas-Kroll-Hess approach. on charge and spin density two model compounds containing copper iron atom are size investigated in real reciprocal space; addition, picture-change discussed for isolated Cu atom. It found that terms lead changes densities much smaller than those from...
Template condensation of 3,5-di-tert-butyl-2-hydroxybenzaldehyde S-methylisothiosemicarbazone with pentane-2,4-dione and triethyl orthoformate at elevated temperatures resulted in metal complexes the type MIIL, where M = Ni Cu H2L a novel tetradentate ligand. These are relevant to active site copper enzymes galactose oxidase glyoxal oxidase. Demetalation NiIIL gaseous hydrogen chloride chloroform afforded metal-free ligand H2L. Then by reaction Zn(CH3COO)2·2H2O 1:1 molar ratio 1:2...
The 2,6-disubstituted piperidine alkaloids (+)-dihydropinidine (1), (−)-epidihydropinidine (2) (as HCl salts), and (−)-pinidinone (3) were efficiently synthesized from (S)-epichlorohydrin (7) as common substrate using regioselective Wacker−Tsuji oxidation of alkenylazides 10 14 well a highly diastereoselective reduction cyclic imine 11 key steps. protecting group free total syntheses represent the up to date shortest routes with highest overall yields for all three naturally occurring (1−3)....
In order to evaluate the influence of substitution on biological properties Schiff bases and their metal complexes, a series differently substituted fluorine-containing starting from drug isoniazid (isonicotinylhydrazide) were prepared structures established by single-crystal X-ray diffraction. Also, four copper(II) complexes these synthesized. The compounds evaluated for antimicrobial activity urease inhibition. Two exerted against C. albicans. All showed excellent inhibitory jack bean...
The redox properties of copper, nickel, and cobalt complexes (MePh3P)[M(bdt)2] with the ligand benzene-1,2-dithiolate (bdt) synthesized (MePh3P)[M(bdtCl2)2] 3,6-dichlorobenzene-1,2-dithiolate (bdtCl2) have been studied by cyclic voltammetry in situ EPR–UV/vis/NIR spectroelectrochemistry. addition chlorine substituents to 3- 6-positions benzene ring not only facilitates reduction [M(bdtCl2)2]− but also leads remarkable stabilization [M(bdtCl2)2]2– dianions solution. In contrast EPR-silent...
Abstract The total synthesis of natural (+)‐varitriol ( 1 ) was accomplished by starting from dimethyl L ‐tartrate. keyfeatures were a substrate selective and diastereoselective Pd II ‐catalysed bicyclisation unsaturated protected triol 9 followed regioselective ring‐opening bicyclic skeleton 10 . absolute configuration the target confirmed single‐crystal X‐ray analysis for first time.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Biological activity, functionality, and synthesis of (fluoro)quinolones is closely related to their precursors (for instance 3-fluoroanilinoethylene derivatives) (i.e., functional groups, conformational behavior, and/or electronic structure). Herein, the theoretical study derivatives presented. Impact substituents (acetyl, methyl ester, ethyl ester) on analysis spectral behavior investigated. The B3LYP/6-311++G** computational protocol utilized. It found that intramolecular hydrogen bond...
Abstract A nonsymmetrical triamine, 1,6‐diamino‐4‐azahexane, was Schiff‐condensed with (X‐substituted) o ‐salicylaldehyde to yield pentadentate ligands X‐L 5 : salpet and MeBu‐salpet. These form mononuclear, dinuclear, trinuclear Fe III complexes, whose structures were determined by single‐crystal X‐ray analysis. Of the mononuclear [Fe (salpet)Cl] (MeBu‐salpet)Cl] are high spin ( S = 5/2), whereas (salpet)CN] · MeOH is low 1/2). The dinuclear complexes show a kind ofthermally induced...