A5040309896- Crystallography and molecular interactions
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Metal complexes synthesis and properties
- Spectroscopy and Quantum Chemical Studies
- Crystal structures of chemical compounds
- Molecular Spectroscopy and Structure
- Chemical Thermodynamics and Molecular Structure
- Advanced Chemical Physics Studies
- Ferrocene Chemistry and Applications
- Electrochemical Analysis and Applications
- Molecular spectroscopy and chirality
- Extraction and Separation Processes
- DNA and Nucleic Acid Chemistry
- Inorganic Fluorides and Related Compounds
- Protein Interaction Studies and Fluorescence Analysis
- Chemical Synthesis and Analysis
- Solid-state spectroscopy and crystallography
- Luminescence Properties of Advanced Materials
- Fluorine in Organic Chemistry
- Surface Chemistry and Catalysis
- Adsorption and biosorption for pollutant removal
- Bone Tissue Engineering Materials
- Crystal Structures and Properties
- Photochemistry and Electron Transfer Studies
University of Belgrade
2015-2024
Institute of Chemistry, Technology and Metallurgy
2011-2024
University of Banja Luka
2021
Institute of Metallurgy
2014-2017
Institute for Technology of Nuclear and other Mineral Raw Materials
2011
University of Bari Aldo Moro
2011
University of Warwick
2011
Covalently-bonded atoms of Groups IV–VII tend to have anisotropic charge distributions, the electronic densities being less on extensions bonds (σ-holes) than in intervening regions. These σ-holes often give rise positive electrostatic potentials through which atom can interact attractively and highly directionally with negative sites (e.g., lone pairs, π electrons anions), forming noncovalent complexes. For Group VII this is called “halogen bonding” has been widely studied both...
Important interactions: The interactions between two benzene molecules in the parallel orientation are studied by means of crystallographic and computational methods. results may have interesting applications study systems containing aromatic molecules, including biomolecules pharmaceuticals. figure shows minimum a dimer at large offset (optimized geometry with an interaction energy 2.01 kcal mol−1).
The angular distribution of the C–H⋯O interactions aromatic C–H donors was studied by analyzing data in Cambridge Structural Database (CSD) and ab initio calculations. analysis crystal structures from CSD indicate that do not show strong preference for linear contacts depends on type atom or group o-position to interacting group. Namely, acceptor oxygen has possibility simultaneous with hydrogen molecules two atoms o-positions contacts. Bifurcated are observed a substantial number...
Stacking interactions between pyridine molecules and the influence of simultaneous hydrogen bonds were studied by analyzing data in Cambridge Structural Database (CSD) ab initio calculations. The results show remarkably stronger stacking pyridines with bonds, because local parallel alignment OH aromatic ring. Data crystal structures from CSD calculations that normal distances (R) are shorter than those without bonds. Furthermore, calculated binding energies for substantially when have bonds;...
It has been demonstrated that sulfur–sulfur interactions can exist in various molecular systems. In this work we investigated crystal structures of small molecules by analyzing geometric data from the Cambridge Structural Database (CSD) and quantum chemical calculations. The analysis cysteine residues (R-CH2SH) CSD indicates preferred is parallel orientation two C–S–H planes. Quantum calculations were performed on model systems methanethiol dimers. most stable geometry dimer with planes...
Fluorination of compounds causes an increase in the proton-donating ability and a decrease proton-accepting capacity groups their vicinity. The formation F···F interactions is followed by shift electron density area contact, which creates new region with larger surface area, higher negative potential, and, hence, more pronounced accepting ability. also has greater to form multiple (simultaneous) species from environment, thus compensating for reduction This phenomenon explains not only...
The geometry of hydrogen bonds in the crystal structures from Cambridge Structural Database and calculated data show that water coordination to a metal ion has remarkable influence on bonds. energies coordinated are much stronger, even if aqua complex is neutral.
A new magnetic amino-functionalized polymeric sorbent based on glycidyl methacrylate was synthesized and used in the separation of chromium Cr(VI) oxyanions sorption from aqueous solutions a static batch system. The kinetic isothermal parameters process were determined. experimental data best fitted by pseudo-second-order model with R2 = 0.994 χ2 0.004. removal controlled both intraparticle diffusion liquid film diffusion. equilibrium results showed that is described Freundlich model,...
Analysis of crystal structures from the Cambridge Structural Database (CSD) that involve close contact between water and aryl rings revealed existance conformations where molecule or one its O–H bonds is parallel to aromatic ring plane at distances typical for stacking interactions; attractive interaction energies obtained ab initio calculations performed on model systems are significant (e.g. ΔECCSD(T) = –1.60 kcal mol−1) consistent with observed structures.
The CH–O interactions of pyridine with water molecules were studied by analysing the data in Cambridge Structural Database (CSD) and ab initio calculations. analysis crystal structures from CSD indicates that C–H donors do not show preference for linear contacts. results calculations are accord stabilization energy is larger bifurcated than interactions. calculated interaction energies at MP2/cc-pVQZ level between ortho, meta, para groups −1.24, −1.94 −1.97 kcal mol−1, respectively....
Stacking interactions between square-planar metal complexes containing bipyridine ligands (bipy) were studied by analyzing data in the Cambridge Structural Database (CSD) and density functional theory (DFT) calculations. In most of crystal structures, two bipy head-to-tail oriented. On basis from CSD, we classified overlaps into six types. The types defined values geometrical parameters, same type have very similar overlap geometries. frequent are structures with quite large area including...
Analysis of crystal structures from the Cambridge Structural Database (CSD) and high level ab initio calculations reveals that water/aromatic parallel alignment interactions, where water molecule or one its O–H bonds is to aromatic ring plane, can be significantly strong at large horizontal displacements. We found out strongest energies interactions are calculated for position with displacements, C–H bond region. For systems, normal distances were decreasing increasing displacement, in...
We have synthesized 22 C-1 functionalized-N-aryl-1,2,3,4-tetrahydroisoquinoline derivatives showing biological activities towards cholinergic enzymes. Synthesis was performed using visible-light-promoted photo-redox chemistry, starting from a common intermediate, and the application of this synthetic methodology drastically simplified routes purification desired compounds. All derivates were divided into four groups based on substituents in position, their inhibition potencies two enzymes,...
The synthesis, spectroscopic characterization, cytotoxic activity and DNA binding evaluation of seven new dinuclear platinum(ii) complexes Pt1-Pt7, with the general formula [{Pt(L)Cl}2(μ-1,5-nphe)](ClO4)2 (1,5-nphe is 1,5-naphthyridine; while L two ammines (Pt1) or one bidentate coordinated diamine: ethylenediamine (Pt2), (±)-1,2-propylenediamine (Pt3), trans-(±)-1,2-diaminocyclohexane (Pt4), 1,3-propylenediamine (Pt5), 2,2-dimethyl-1,3-propylenediamine (Pt6), 1,3-pentanediamine (Pt7)), were...
Stacking interactions between two benzene molecules that coordinate transition metal ions within organometallic sandwich and half-sandwich compounds were investigated by performing Cambridge Structural Database (CSD) search DFT-D calculations. Calculations of interaction energies revealed stacking coordinating benzenes (−3.69 kcal/mol) (−3.29 are significantly stronger than the noncoordinating (−2.73 kcal/mol). At large horizontal displacements (offset r = 5.0 Å), these sandwich∥sandwich...
The crystal packing of two spirohydantoins was analyzed through the contribution dimeric motifs and different interactions. cooperative effect rationalized in terms formation a new region, as result F⋯F interaction.
According to the most literature data, skin is usually observed as a simple structure with equivalent electrical model, which includes general properties of epidermis, basal membrane and dermis.In this paper, we analyzed more complex system.Particularly epidermis based on layers approach its water organization in lipids ordered sub-layers.Using opto-magnetic spectroscopy method, very sensitive paramagnetic/diamagnetic tissue, found out that nanowater ordering epidermal play important role...