Exchange of structural groups between ethanol and sodium ethoxide

Conclusions In the C₂H₅OH-C₂H₅ONa system, equidistribution of labeled structural groups between the ethanol and the sodium ethoxide is achieved very rapidly and the time of half-exchange for this process isTranslated from Izvestiya Akademii Nauk, Seriya Khimicheskaya, Vol. 8, pp. 1855–1856, August, 1967.apparently considerably less than 1 min.     

Atypical intensity distribution in the Raman spectrum of 9,10-anthraquinone

The structure, the frequencies of the normal vibrations, and the absolute intensities of the bands in the IR and Raman spectra of 9,10-anthraquinone and its four symmetrical isotopomers are calculated in terms of the DFT/B3LYP method with the 6-31G(d) basis set. The effective harmonic force field of 9,10-anthraquinone is found by the Pulay method. A technique for directly obtaining the effective force fields without using experimental data on the frequencies of fundamental vibrations is proposed. An atypical intensity distribution in the Raman spectrum of 9,10-anthraquinone between two totally symmetric A _g and two nontotally symmetric B _3g vibrations is found. A new interpretation of these four experimentally observed vibrational Raman bands is proposed.     

Calculation of Out‐of‐Plane Vibrations of a Porphin Molecule

Using the DFT/B3LYP method with the base set 631G^**, we carried out calculation of the frequencies of the normal vibrations of porphin and of its five isotopic types. Scaling of force constants for outofplane vibrations has been performed in independent natural coordinates. The symmetry coordinates are introduced and a force field for outof plane vibrations of a porphin molecule in independent coordinates of symmetry is obtained. A new correlation of the frequencies of vibrations in the type of the symmetry B _1u for the isotopic type of the d ₂ porphin molecule is suggested on the basis of discrete analysis of the distribution of a potential energy.     

Redox properties and antiradical activity of humic acids under exposure to UV and visible light

Changes in the redox and antiradical properties of humic acids upon exposure to monochromatic UV light of an excilamp and polychromatic light of a helium lamp were studied.     

Effects of the electron-electron interaction on the surface of three-dimensional topological insulators

In the GW approximation, it has been shown that, owing to the electron-electron interaction, plasma satellites appear in the spectral function of a two-dimensional electron system on the surface of a topological insulator. They are due to the resonance plasmon-hole scattering. The contribution of satellites to the single-electron density of states is responsible for the downward energy shift of the minimum of the density, which is compared to the Dirac point in the experiment. To analyze the effect of vertex corrections on the resulting spectrum, a method has been proposed that goes beyond the GW approximation by summing ladder diagrams in the expansion of both the polarization function and self-energy. It has been shown with this method that the multiple electron-hole scattering hardly changes the resulting spectrum.     

Antiturbulent properties of sulfomethylated polyacrylamide under the conditions of thermal,salt, and acid aggressions

Russian Journal of Applied Chemistry - Nonionic polyacrylamide with the weight-average molecular mass of 7 MDa was modified by sulfomethylation. The composition of sulfomethylated polyacrylamides...     

A quantum-chemistry study of novel copper- and cobalt-complex based redox mediators for dye-sensitized solar cells

Novel redox mediators are necessary in order to increase the efficiency and lifetime of dye-sensitized solar cells. In this work, complex copper and cobalt ions with phenanthroline and bipyridine ligands are studied in the quantum chemical aspect. New complexes with cyano bipyridine derivatives are studied. The redox potentials of the complexes and inner sphere reorganization energies are calculated.     

First experimental evidence of D(p, γ)3He reaction in titanium deuteride in ultralow collision energy region

The article is devoted to the investigation of a pd-reaction (p + d → ³He + γ(5.5 MeV)) under-going in titanium deuteride in astrophysical collision energy region of protons and deuterons ranging from 5.3 to 10.5 keV. The experiments have been performed using the Hall NR TPU (Tomsk, Russia) pulsed plasma accelerator. The number of accelerated protons in 10 μs pulse was 5 × 10¹⁴ at a repetition rate of 7 × 10^?2 Hz. Detection of 5.5 MeV gamma rays was carried out using eight detectors based on crystals of NaI(Tl) (100 × 100 × 400 mm) placed around the TiD target. For the first time, the dependencies between the astrophysical S-factor and the effective cross section of the pd-reaction from proton-deuteron collision energy, and the potential electronic screening of the interacting protons and deuterons in titanium deuteride have been measured.     

Experimental observation of electron screening for the D(p, γ)3He nuclear reaction in titanium Deuteride TiD

Characteristics of the pd reaction (p + d → ³He + γ(5.5 MeV)) in titanium deuteride at astrophysical proton-deuteron collision energies ranging from 5.3 to 10.5 keV are investigated. Experiments are conducted on the pulsed plasma Hall accelerator at Tomsk Polytechnic University (Tomsk, Russia). The number of accelerated protons in a pulse 10 μs long is 5 × 10¹⁴ at a repetition rate of 7 × 10^?2 Hz. Gamma rays with an energy of 5.5 MeV are recorded by eight detectors based on NaI(Tl) crystals (100 × 100 × 400 mm) arranged around the TiD target. The dependence of the astrophysical S factor for the pd reaction on the proton-deuteron collision energy and the electron screening potential of protons interacting with deuterons in titanium deuteride are measured for the first time.