Energy transfer in the course of triplet state quenching of aromatic hydrocarbons by nitroxyl radicals

Quenching of triplet states of aromatic hydrocarbons by nitroxyl radicals has been investigated by the flash photolysis method. There are two different mechanisms of triplet quenching: quenching occurs via enhanced intersystem crossing on exchange interaction with the radical for the triplet states of aromatic hydrocarbons which have low triplet energy (E_T < 14700 cm^?1); for very high triplet energies, energy transfer from the triplet molecule to the nitroxyl radical occurs. The energy of the excited nitroxyl radical was estimated to be 18000 cm^?1.     

Plasma-liquid technologies for treatment of archaelogical artifacts

Plasma-liquid technologies at atmospheric pressure provide a wide range of possibilities for applications. One of them, the treatment of archaeological artifacts, is presented in this paper. The effects of discharges between a metal electrode and a solution surface and/or an interaction of hollow cathode plasma jet, plasma pencil, with liquid on the corroded surface of bronze and glass artifacts were studied. It was compared with standard low pressure plasma techniques and with the effects of electrolysis. Original and treated objects were characterized by means of scanning electron microscope (SEM) with energy dispersive analyser used for the spot elemental analyses.     

μSR study of vortex structure mobility and penetration depth in Bi2Sr2CaCu2O2-δ textured sample

The giant mobility of the magnetic flux in FrFC and ZFC conditions have been studied in textured sample Bi₂Sr₂CaCu₂O_2- bySR. The comparison of results obtained in both cases showed that it is difficult to explain this phenomenon by only thermally activated flux creep and the melting of vortex lattice must be considered. The magnetic field dependence of the melting temperature was obtained for H<90mT. It is shown that the possibility of vortex motion does not affect the results of FC-measurements.     

Laser spectroscopy and chemometric study of the specific features of air exhaled by patients with lung cancer and chronic obstructive pulmonary disease

The specificity of exhaled air spectra in the range from 9.2 to 10.6 µm for patients with lung cancer and chronic obstructive pulmonary disease has been analyzed by laser spectroscopy and chemometrics methods. The informativeness of the absorption spectra of exhaled air is compared with that of clinical analysis data.     

Origin of pressure-induced insulator-to-metal transition in the van der Waals compound FePS3 from first-principles calculations

Pressure-induced insulator-to-metal transition (IMT) has been studied in the van der Waals compound iron thiophosphate (FePS₃) using first-principles calculations within the periodic linear combination of atomic orbitals method with hybrid Hartree–Fock-DFT B3LYP functional. Our calculations reproduce correctly the IMT at ∼15 GPa, which is accompanied by a reduction of the unit cell volume and of the vdW gap. We found from the detailed analysis of the projected density of states that the 3p states of phosphorus atoms contribute significantly at the bottom of the conduction band. As a result, the collapse of the band gap occurs due to changes in the electronic structure of FePS₃ induced by relative displacements of phosphorus or sulfur atoms along the c-axis direction under pressure.     

Effect of organic polyelectrolytes on H*-aggregation of <Emphasis Type="Italic">meso</Emphasis>-methyl-substituted thiacarbocyanine dyes

H*-Aggregation of anionic meso-methyl-substituted thiacarbocyanines of different structures has been studied in dilute aqueous solutions and in the presence of cationic organic polyelectrolytes. The thermodynamic parameters of the H*-aggregation from the trans-dimers have been determined. The thermodynamic equilibrium between two forms of the H*-aggregates in the presence of poly-N,N-dimethyl-N,N-diallylammonium chloride has been observed for the first time, and these forms have been assigned to H* _cis and H* _trans forms.     

Fragments of the Moon Formation: Geophysical Consequences of the Giant Impact

Journal of Experimental and Theoretical Physics - The most likely scenario for the Moon formation is given by calculations of the Giant Impact (GI) of the ProtoEarth with a protoplanet with a mass...     

Molecular Structure,Thermodynamic and Spectral Characteristics of Metal-Free and Nickel Complex of Tetrakis(1,2,5-thiadiazolo)porphyrazine

The Knudsen effusion method with mass spectrometric control of the vapor composition was used to study the possibility of a congruent transition to the gas phase and to estimate the enthalpy of sublimation of metal-free tetrakis(1,2,5-thiadiazolo)porphyrazine and its nickel complex (H₂TTDPz and NiTTDPz, respectively). The geometrical and electronic structure of H₂TTDPz and NiTTDPz in ground and low-lying excited electronic states were determined by DFT calculations. The electronic structure of NiTTDPz was studied by the complete active space (CASSCF) method, following accounting dynamic correlation by multiconfigurational quasi-degenerate second-order perturbation theory (MCQDPT2). A geometrical structure of D_2h and D_4h symmetry was obtained for H₂TTDPz and NiTTDPz, respectively. According to data obtained by the MCQDPT2 method, the nickel complex possesses the ground state ¹A_1g, and the wave function of the ground state has the form of a single determinant. Electronic absorption and vibrational (IR and resonance Raman) spectra of H₂TTDPz and NiTTDPz were studied experimentally and simulated theoretically.     

Fundamentals and properties of zinc oxide nanostructures: Optical and sensing applications

In this paper we will give an overview of the status of catalytic growth and of low-temperature chemical growth of ZnO nanostructures performed in our laboratory. Particularly results employing different substrates will be discussed. The second part deals with structural and optical properties of ZnO nanorods. The results from high resolution transmission electron microscope (HRTEM), scanning electron microscope (SEM), photoluminescence (PL), Cathodoluminescence (CL), and Electroluminescence (EL), on single nanowires will be shown. Our results on surface morphology, bulk and the position of the catalyst as well as the optical properties including UV emission, lasing and white emission will all be presented and discussed. In the third part experimental results from electroluminescence of ZnO nanorods on different substrates in the UV in addition to excellent white light emission obtained from samples grown at low temperature are to be given and discussed. Finally the sensing of molecules in water by ZnO nanorods will be discussed from a theoretical point of view. Also fundamental properties of polaritons and excitons in ZnO nanostructures are to be highlighted.     

Molecular dynamics simulations of EXAFS in germanium

Classical molecular dynamics simulations have been performed for crystalline germanium with the aim to estimate the thermal effects within the first three coordination shells and their influence on the single-scattering and multiple-scattering contributions to the Ge K-edge extended x-ray absorption fine structure (EXAFS).