scholarly journals Possibilities of Application of Methods of X-Ray Phase and X-Ray Diffraction Analysis in the Forensic Science

2021 ◽  
pp. 35-42
Author(s):  
Konstantin Smirnov ◽  
◽  
Vladimir Akatyev ◽  
Yulia Amelchenko ◽  
◽  
...  
Keyword(s):  
Shock Wave ◽  
Diffraction Analysis ◽  
Forensic Science ◽  
Analysis Data ◽  
X Ray Diffraction ◽  
Wave Impact ◽  
X Ray ◽  
Investigation Methods ◽  
Analysis Application ◽  
Explosive Devices

The paper reflects various aspects of the use of X-ray investigation methods, their advantages and application in forensic science of the phase composition of metals, paint and varnish coatings and paintwork materials, fragments of explosive devices. Practical examples of X-ray diffraction analysis application for thin film specimens made on the basis of paints containing alkyd varnish, pigments, fillers and solvents of various colour range have been examined. Influence of true physical broadening, on lines of diffractograms taken for samples exposed to shock wave action was also studied. It was found that this broadening is directly connected with influence of microstrains and fine dispersion of mosaic structure blocks. Based on the obtained X-ray diffraction analysis data, the dislocation density was calculated by three methods. Based on summarized experimental and literature data, the dependence of microstrains on the explosive weight was plotted, which can be used as a reference standard for comparison in expert studies of samples exposed to shock-wave impact.

scholarly journals Thiourea-Derived Chelating Ligands and Their Organometallic Compounds: Investigations into Their Anticancer Activity

Molecules ◽  
2020 ◽  
Vol 25 (16) ◽  
pp. 3661
Author(s):  
Kelvin K. H. Tong ◽  
Muhammad Hanif ◽  
James H. Lovett ◽  
Katja Hummitzsch ◽  
Hugh H. Harris ◽  
...  
Keyword(s):  
Diffraction Analysis ◽  
Benzimidazole Derivative ◽  
Organometallic Compounds ◽  
Analysis Data ◽  
Biological Evaluation ◽  
X Ray Diffraction ◽  
Metal Centers ◽  
X Ray ◽  
Biological Studies ◽  
Heterocyclic Derivatives

Thiones have been investigated as ligands in metal complexes with catalytic and biological activity. We report the synthesis, characterization, and biological evaluation of a series of MII/III complexes of the general formulae [MII(cym)(L)Cl]X (cym = η6-p-cymene) or [MIII(Cp*)(L)Cl]X (Cp* = η5-pentamethylcyclopentadienyl), where X = Cl− or PF6−, and L represents heterocyclic derivatives of thiourea. The thiones feature a benzyl-triazolyl pendant and they act as bidentate ligands via N,S-coordination to the metal centers. Several derivatives have been investigated by single-crystal X-ray diffraction analysis. NMR investigations showed a counterion-dependent shift of several protons due to the interaction with the counterions. These NMR investigations were complemented with X-ray diffraction analysis data and the effects of different counterions on the secondary coordination sphere were also investigated by DFT calculations. In biological studies, the Ir benzimidazole derivative was found to accumulate in the cytoplasm and it was the most cytotoxic derivative investigated.

Solid State of Polymolybdenum(VI) Phenylsiloxanes - Synthesis and Structure

2019 ◽  
Vol 806 ◽  
pp. 57-63 ◽  
Author(s):  
Nikolai P. Shapkin ◽  
Alevtina Kapustina ◽  
Natalya Dombai ◽  
Vitalii Libanov ◽  
Irina G. Khal'chenko ◽  
...  
Keyword(s):  
Solid State ◽  
Diffraction Analysis ◽  
Mechanical Activation ◽  
Cross Section ◽  
Mechanochemical Activation ◽  
Analysis Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Soluble Polymers ◽  
Activation Conditions

Interaction of molybdenyl(VI) bis(acetylacetonate) with polyphenylsiloxane in xylene and under mechanochemical activation conditions has been investigated. The interaction of the above reagents under mechanical activation conditions proceeds with formation of soluble polymers similar to those obtained in a solution with the silicon/molybdenum ratio equal to 2.6. The crystal chemistry parameters of the fraction obtained in solution with the ratio Si/Mo = 1:2 have been calculated on the basis of the X-ray diffraction analysis data using the Debye–Shearer equation. It has been demonstrated that the chain cross-section found using the Miller–Boyer method coincides with that calculated geometrically on the basis of literature data on bond lengths and angles.

Cation–cation interaction in crystal structures of Np(V) and Pu(V) benzoate complexes with 2,2′-bipyridine, [NpO2(C10H8N2)(OOCC6H5)]2 and [PuO2(C10H8N2)(OOCC6H5)]2

2007 ◽  
Vol 95 (9) ◽  
Author(s):  
I. A. Charushnikova ◽  
N. N. Krot ◽  
Z. A. Starikova
Keyword(s):  
Diffraction Analysis ◽  
Single Crystals ◽  
Crystal Structures ◽  
Analysis Data ◽  
X Ray Diffraction ◽  
X Ray

Single crystals of the Np(V) and Pu(V) benzoate complexes with 2,2′-bipyridine were prepared. According to X-ray diffraction analysis data, they are isostructural neutral dimers with the [AnO

Ten-Vertex Polyhedral Monocarbaborane Chemistry. The Novel High-Yield Formation of the Ten-Vertex closo Compound [6-(PMe2Ph)-closo-1-CB9H9] from the Thermolysis of [8,8-(PMe2Ph)2-nido-8,7-PtCB9H11]

1993 ◽  
Vol 58 (12) ◽  
pp. 2924-2935 ◽  
Author(s):  
Jane H. Jones ◽  
Bohumil Štíbr ◽  
John D. Kennedy ◽  
Mark Thornton-Pett
Keyword(s):  
Nmr Spectroscopy ◽  
Diffraction Analysis ◽  
High Yield ◽  
Monoclinic Space Group ◽  
The Novel ◽  
X Ray Diffraction ◽  
Metal Centre ◽  
X Ray ◽  
Yield Formation ◽  
Boiling Toluene

Thermolysis of [8,8-(PMe2Ph)2-nido-8,7-PtCB9H11] in boiling toluene solution results in an elimination of the platinum centre and cluster closure to give the ten-vertex closo species [6-(PMe2Ph)-closo-1-CB9H9] in 85% yield as a colourles air stable solid. The product is characterized by NMR spectroscopy and single-crystal X-ray diffraction analysis. Crystals (from hexane-dichloromethane) are monoclinic, space group P21/c, with a = 903.20(9), b = 1 481.86(11), c = 2 320.0(2) pm, β = 97.860(7)° and Z = 8, and the structure has been refined to R(Rw) = 0.045(0.051) for 3 281 observed reflections with Fo > 2.0σ(Fo). The clean high-yield elimination of a metal centre from a polyhedral metallaborane or metallaheteroborane species is very rare.

Bis(μ-carboxylato)dienerhodium(I) Complexes - Synthesis, Characterization and Catalytic Activity

2008 ◽  
Vol 73 (8-9) ◽  
pp. 1205-1221 ◽  
Author(s):  
Jiří Zedník ◽  
Jan Sedláček ◽  
Jan Svoboda ◽  
Jiří Vohlídal ◽  
Dmitrij Bondarev ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Diffraction Analysis ◽  
Spectroscopic Methods ◽  
X Ray Diffraction ◽  
X Ray

Dinuclear rhodium(I) η2:η2-cycloocta-1,5-diene (series a) and η2:η2-norborna-2,5-diene (series b) complexes with μ-RCOO- ligands, where R is linear C21H43 (complexes 1a, 1b), CH2CMe3 (2a, 2b), 1-adamantyl (3a, 3b) and benzyl (4a, 4b), have been prepared and characterized by spectroscopic methods. Structures of complexes 2b, 3a and 4a were determined by X-ray diffraction analysis. Complexes prepared show low to moderate catalytic activity in polymerization of phenylacetylene in THF giving high-cis-transoid polymers, but they show only oligomerization activity in dichloromethane.

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