EPR probes in sedimentary rocks: The features of Mn2− and free radicals distribution in the Permian formation in Tatarstan

EPR data (i.e. the distribution of Mn²⁺ in carbonate rocks and of free radicals in terrigenous rocks) may be used to characterize sedimentary beds, especially if they are unfossilferous. The study of the distribution of Mn²⁺ that substitutes Mg²⁺ and Ca²⁺ in sedimentary dolomites suggests that the distribution is affected by their genesis.     

The analysis of spin Hamiltonian and crystal field tensors for Fe3+ in crystals of LiCaAlF6 and LiSrAlF6

In single crystals of LiCaAlF₆ and LiSrAlF₆ doped with Fe³⁺ the trigonal EPR spectra with multiplicityK _M = 1 were observed due to Fe³⁺ substituted for Al³⁺. The spin Hamiltonian parameters describing the fine structure and the superhyperfine structure were determined. It is argued that the tensorsB ₂ andB ₄ of the spin Hamiltonian for Fe³⁺ ions are essentially determined by the quadratic contributions of the crystal field at the substitution site. The signs and the relative values of the elements in the spin Hamiltonian tensorB ₄ of rankL = 4 for Fe³⁺ are determined by the irreducible tensor product [V ₄ ?V ₄]₂ of the crystal field tensorV ₄ of rankL = 4 at the substitution sites. The ratio between the invariant sum of the spin Hamiltonian tensorB ₄ for Fe³⁺ in oxygen octahedra [FeO₆] and that in fluorine octahedra [FeF₆] is directly proportional to the fourth power of the ratio between the effective charges of surrounding ions. The sign of the spin Hamiltonian parameterB ₂₀ corresponds to the sign of the element [V ₄ ?V ₄]₂₀ in the irreducible tensor product [V ₄ ?V ₄]₂ of rankL = 2.     

Anomalous electron thermal conductivity across the destroyed magnetic surfaces

New “Semicollisional” regime of the anomalous electron transport pertaining to the weakly collisional plasma is described in the paper. The transition from the collisionless to semicollisional case is determined by the ratio of the phase stochastization length of the parallel electron motion to the mean free path. It was shown also that the anomalous thermal conductivity can be described by the known “selfsimilar” expression $\text{χ}{}_{\mathrm{?}}\text{= χ}{}_{6e}\text{Ь}{}^2{}_0$ only for very strong collisions or high level of magnetic field turbulence.     

Electrochemical study of nickel complexes in Ziegler-type catalytic systems

Conclusions By electrochemical methods, it was shown that -organonickel complexes stabilized by organoaluminum compounds are present in homogeneous three-component systems consisting of NiX₂ (X=Cl or acac), an organophosphorus activator [PR₃, P(OR)₃, where R=Et, i-Pr, Bu,Ph], and an organoaluminum reducing agent.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 6, pp. 1293–1295, June, 1984.     

Spin Exchange Between Charged Paramagnetic Particles in Dilute Solutions

Kinetic equations for the spin density matrix which take into account binary collisions and a method of calculating the spin exchange effective radius have been generalized to the case of dilute solutions of charged paramagnetic particles. The effective radius of the spin exchange and rate constant of the bimolecular spin exchange between charged paramagnetic particles in solutions have been calculated numerically. Calculations have been performed under the assumption that the exchange interaction is isotropic and decays exponentially with the increase in the distance between radicals, and the solution has a given dielectric permittivity and Debye screening radius. Dependences of the spin exchange rate constant on the mutual diffusion coefficient, exchange and electrostatic interactions parameters have been found numerically. The theory has been applied to experimental results taken from the literature. The rate constant of the spin exchange between radicals of like charge found from the experiment and calculated within the developed theory are in good qualitative agreement .     

Deciphering the mystery of hexagon holes in an all-boron graphene α-sheet

Boron could be the next element after carbon capable of forming 2D-materials similar to graphene. Theoretical calculations predict that the most stable planar all-boron structure is the so-called α-sheet. The mysterious structure of the α-sheet with peculiar distribution of filled and empty hexagons is rationalized in terms of chemical bonding. We show that the hexagon holes serve as scavengers of extra electrons from the filled hexagons. This work could advance rational design of all-boron nanomaterials.     

Microwave spectrum and DFT calculations of 4,4-dimethyl-1,3-dioxane

In the microwave spectrum of 4,4-dimethyl-1,3-dioxane, the rotational transitions of a, b, and c types with J ≤ 54 are identified in the ground vibrational state of the molecule in the frequency range of 12 GHz to 37 GHz. Rotational constants, quartic centrifugal distortion constants, and the dipole moment of the molecule are determined. The revealed transitions are found to belong to the chair conformer. The B3PW91/aug-cc-pVDZ method is used to calculate the geometric parameters of 1,3-dioxane, 4-methyl-1,3-dioxane, and 4,4-dimethyl-1,3-dioxane. Alkyl substitution is shown to cause changes in the geometry of the 1,3-dioxane core.