High-Energetic Salts and Metal Complexes: Comprehensive Overview with a Focus on Use in Homemade Explosives (HME).

Metal-containing compounds form a large and rapidly expanding group of high-energy materials. Many compounds in this class attract the attention of non-professionals, who may attempt the illegal production of explosives. Several of these substances have been commercially available and pose significant danger if used by terrorists or for criminal purposes.

Innovative microwave in situ approach for crystallizing TiO nanoparticles with enhanced activity in photocatalytic and photovoltaic applications.

This investigation introduces an innovative approach to microwave-assisted crystallization of titania nanoparticles, leveraging an in situ process to expedite anatase crystallization during microwave treatment. Notably, this technique enables the attainment of crystalline material at temperatures below 100 °C. The physicochemical properties, including crystallinity, morphology, and textural properties, of the synthesized TiO nanomaterials show a clear dependence on the microwave crystallization temperature.

Forensic analytical aspects of homemade explosives containing grocery powders and hydrogen peroxide.

Homemade explosives become a significant challenge for forensic scientists and investigators. In addition to well-known materials such as acetone peroxide trimer, black powder, or lead azides, perpetrators often produce more exotic and less recognized Homemade Explosives (HMEs). Mixtures of hydrogen peroxide with liquid fuels are widely acknowledged as powerful explosives.

The importance of anchoring ligands of binuclear sensitizers on electron transfer processes and photovoltaic action in dye-sensitized solar cells.

The relatively low photon-to-current conversion efficiency of dye-sensitized solar cells is their major drawback limiting widespread application. Light harvesting, followed by a series of electron transfer processes, is the critical step in photocurrent generation. An in-depth understanding and fine optimization of those processes are crucial to enhance cell performance.

Electronic States of Tris(bipyridine) Ruthenium(II) Complexes in Neat Solid Films Investigated by Electroabsorption Spectroscopy.

We present the electric field-induced absorption (electroabsorption, EA) spectra of the solid neat films of tris(bipyridine) Ru(II) complexes, which were recently functionalized in our group as photosensitizers in dye-sensitized solar cells, and we compare them with the results obtained for an archetypal [Ru(bpy)] ion (RBY). We argue that it is difficult to establish a unique set of molecular parameter values by discrete parametrization of the EA spectra under the Liptay formalism for non-degenerate excited states. Therefore, the experimental EA spectra are compared with the spectra computed by the TDDFT (time-dependent density-functional theory) method, which for the first time explains the mechanism of electroabsorption in tris(bipyridine) Ru complexes without any additional assumptions about the spectral lineshape of the EA signal.

Laser Desorption/Ionization Mass Spectrometry as a Potential Tool for Evaluation of Hydroxylation Degree of Various Types of Titanium Dioxide Materials.

For many applications, TiO must have a unique surface structure responsible for its desirable physicochemical properties. Therefore the fast and easy methods of TiO surface characterization are of great interest. Heated TiO samples and dye-modified TiO samples were analyzed by laser desorption/ionization mass spectrometry.

The TiO-ZnO Systems with Multifunctional Applications in Photoactive Processes-Efficient Photocatalyst under UV-LED Light and Electrode Materials in DSSCs.

The main goal of the study was the hydrothermal-assisted synthesis of TiO-ZnO systems and their subsequent use in photoactive processes. Additionally, an important objective was to propose a method for synthesizing TiO-ZnO systems enabling the control of crystallinity and morphology through epitaxial growth of ZnO nanowires. Based on the results of X-ray diffraction analysis, in the case of materials containing a small addition of ZnO (≥5 wt.

How Can the Introduction of Zr Ions into TiO Nanomaterial Impact the DSSC Photoconversion Efficiency? A Comprehensive Theoretical and Experimental Consideration.

A series of pure and doped TiO nanomaterials with different Zr ions content have been synthesized by the simple sol-gel method. Both types of materials (nanopowders and nanofilms scratched off of the working electrode's surface) have been characterized in detail by XRD, TEM, and Raman techniques. Inserting dopant ions into the TiO structure has resulted in inhibition of crystal growth and prevention of phase transformation.

2-Thiohydantoin Moiety as a Novel Acceptor/Anchoring Group of Photosensitizers for Dye-Sensitized Solar Cells.

Very recently, we have reported the synthesis and evaluation of biological properties of new merocyanine dyes composed of triphenylamine moiety, π-aromatic spacer, and rhodanine/2-thiohydantoin-based moiety. Interestingly, 2-thiohydantoin has never been studied before as an electron-accepting/anchoring group for the dye-sensitized solar cells (DSSCs). In the presented study, we examined the applicability of 2-thiohydantoin, an analog of rhodanine, in DSSC technology.

Methyl group transfer upon gas phase decomposition of protonated methyl benzoate and similar compounds.

Gas phase decompositions of protonated methyl benzoate and its conjugates have been studied by using electrospray ionization-collision induced dissociation-tandem mass spectrometry. Loss of CO molecule, thus transfer of methyl group, has been observed. In order to better understand this process, the theoretical calculations have been performed.

A Novel Photocatalytic Purification System for Fish Culture.

The accumulation of nitrogen compounds represents a pivotal problem in the management of fish culture. Several methods were investigated in the last decades for treatment of waste waters, and the use of photocatalytic materials has received increasing attention. The photocatalytic degradation (PCD) process with titanium dioxide (TiO) represents the most promising single-step method to promote the removal of nitrogen compounds from water.

Effect of Solvent Variations in the Alcothermal Synthesis of Template-Free Mesoporous Titania for Dye-Sensitized Solar Cells Applications.

A series of 14 mesoporous titania materials has been synthesized using the simple alcothermal template-free method and various alcohols, such as methanol, propanols and butanols, as solvents. All materials were characterized by both wide and small angle XRD, which exhibited the anatase phase with short-range ordered mesoporous structure that is still forming during post synthetic temperature treatment in most of the investigated materials. Nitrogen adsorption-desorption isotherms confirmed the mesoporous structure with surface area ranging from 241 to 383 m2g- 1 and pore volumes from 0.

New gel-like polymers as selective weak-base anion exchangers.

A group of new anion exchangers, based on polyamine podands and of excellent ion-binding capacity, were synthesized. The materials were obtained in reactions between various poly(ethyleneamines) with glycidyl derivatives of cyclotetrasiloxane. The final polymeric, strongly cross-linked materials form gel-like solids.

Multinuclear magnetic resonance studies of 2-aryl-1,3,4-thiadiazoles.

The (1) H, (13) C and (15) N spectra of aryl-substituted 1,3,4-thiadiazoles were recorded. The results obtained were correlated with Hammett coefficients. The experimental results were compared with DFT-calculated chemical shifts.

17O NMR studies of substituted 1,3,4-oxadiazoles.

Three series of substituted 1,3,4-oxadiazoles were studied by (17)O NMR spectroscopy. Chemical shifts values were correlated with empirical Hammett parameters as well as calculated bond lengths and chemical shielding values.

Multinuclear magnetic resonance studies of fluoronitroanilines.

Ten fluoronitroanilines have been synthesized and the (1)H, (13)C, (15)N and, (19)F NMR spectra of these compounds have been recorded and fully assigned. Density functional theory(DFT) calculations have been performed for all compounds studied. Experimental and theoretical results are compared and the structure and atom character influence on the accuracy of the calculation discussed.

15N NMR study of substituted 2-(phenylamino)-5-phenyl-1,3,4-oxadiazoles.

Substituted 2-(phenylamino)-5-phenyl-1,3,4-oxadiazoles were studied by 15N NMR spectroscopy. All signals were assigned on the basis of HMQC and HMBC experiments. Chemical shifts values were correlated with empirical Hammett parameters as well as with calculated electron densities and chemical shieldings.

Differentiation of fluoronitroaniline isomers by negative-ion electrospray mass spectrometry.

Tetra- and trifluoronitroanilines were studied by electrospray ionization mass spectrometry. These compounds gave signals only in the negative-ion mode. It was found that the so-called 'in-source' fragmentation, induced by cone voltage increase, enables differentiation of isomers.