Modeling of the structure and electronic structure of condensed phases of small fullerenes C<Subscript>28</Subscript> and Zn@C<Subscript>28</Subscript>

A comparative analysis of the stability factors and electronic structure of two possible crystalline forms of small fullerene C₂₈ and endohedral fullerene Zn@C₂₈ with diamond and lonsdaleite structures is performed using a cluster model. Atoms of elements that, when placed inside C₂₈ cages, have no significant effect on the stability of free small-fullerene molecules are shown to be able to dramatically change the electronic properties and reactivity of the C₂₈ skeleton and to be favorable for forming small-fullerene crystalline modifications, which are covalent crystals. In contrast, if the presence of foreign atoms inside C₂₈ cages stabilizes the isolated nanoparticles, then molecular crystals (such as C₆₀ fullerites) are formed due to weak van der Waals forces.     

On a Countable-Point Nonlinear Boundary-Value Problem on a Semiaxis for Ordinary Differential Equations in the Space of Bounded Numerical Sequences

We use the idea of the Samoilenko numerical-analytic method for the investigation of a nonlinear boundary-value problem with an unbounded countable set of boundary moments on the positive semiaxis in the case where the differential equation and boundary conditions are defined in the Banach space of bounded numerical sequences.     

Search for the emission of π<Superscript>0</Superscript> mesons from the neutron-induced fission of <Superscript>235</Superscript>U nuclei

A nuclear-reactor experiment on the search for the emission of neutral pions from the neutron-induced fission of ²³⁵U nuclei has been carried out. To this end, an experimental setup for searching for the emission of π⁰ mesons with high sensitivity to this process has been designed and produced. This setup consisted of two Cherenkov total-absorption spectrometers for the detection and measurements of the energy of two gamma-ray photons from π ⁰-meson decay. The spectrometers were placed at the exits of two coaxial horizontal experimental channels. To protect the detectors from low-energy β and γ rays and neutron fluxes, 3.5-m-long water filters were situated in the channels. To reject the cosmic background, large-area scintillation counters operating in the anticoincidence mode were placed over each spectrometer. The energy and time resolution of the spectrometers, as well as the efficiency of detecting charged particles by scintillation counters, were tested on the secondary electron beam of the Tomsk electron synchrotron Sirius. Runs of measurements of the effect on the operating reactor (duration of 805 h) were alternated with runs of measurements of background on the stopped reactor (duration of 403 h). Statistical processing of the experimental results yields an upper limit of ≤5.3×10 ^?12 with a 90% confidence level for the probability of the emission of neutral pions from the neutron-induced fission of ²³⁵U nuclei. This result and results of other works carried out with sources of spontaneously fissioning ²⁵²Cf nuclei show that the probabilities of the emission of π⁰ mesons from spontaneous fission and fission induced by fission-spectrum neutrons are equal to each other.     

Iteration scheme for accelerometer unit calibration by a guaranteeing approach

Methods for accelerometer unit calibration are usually based on sufficiently strict requirements on the knowledge of the gravity orientation with respect to the unit (of the order of fractions of an arc minute). But it is not always possible to know the orientation with such high accuracy. In the present paper, we consider an approach to accelerometer unit calibration for whose implementation it suffices to have rough angular information (of the order of tens of arc minutes). We use a guaranteeing approach to calculate optimal schemes calibration experiments and propose an iterative scheme of calibration.     

Features of light attenuation in crystals under violation of the Bouguer law

A computer simulation and measurements of the light transmittance of germanium and paratellurite crystals of different thickness were used to show that, at scattering probabilities of photons comparable to their absorption probabilities, the standard methods for calculating light extinction coefficients on the basis of the Bouguer law lead to rough errors in estimation of the optical quality of a material.     

A retractable structure based on Bricard linkages and rotating rings of tetrahedra

Retractable structures which alter their geometries according to practical requirements are widely used in roof structures of stadiums for their versatility. A retractable structure based on threefold-symmetric Bricard linkages and rotating rings of tetrahedra is proposed and developed in this paper. By replacing each link of a threefold-symmetric Bricard linkage with a tetrahedron, a retractable structure is obtained which can repeatedly open and close by rotating the tetrahedra. The geometric relationship between the retractable structure and the threefold-symmetric Bricard linkage is derived and ranges of main geometric parameters are determined to ensure a continuous and smooth movement in the deployment of the structure. Then the relative displacement of the support and the open rate of the structure, two main parameters concerned in practical applications, are investigated. Preferred ranges of main geometric parameters are proposed and a physical model is manufactured to verify them. A discussion on some possible improvements and modifications of the structure is also presented.     

Synthesis and characterization of wholly aromatic poly(azomethine)s containing donor–acceptor triphenylamine moieties

N‐(4‐nitrophenyl)‐4′,4″‐bisformyl‐diphenylamine was synthesized from N‐(4‐nitrophenyl)‐diphenylamine by the Vilsmeier‐Haack reaction. Soluble aromatic poly(azomethine)s (PAMs) were prepared by the solution polycondensation of N‐(4‐nitrophenyl)‐4′,4″‐bisformyl‐diphenylamine and aromatic diamine in N‐methyl‐2‐pyrrolidone (NMP) at room temperature under reduced pressure. All the PAMs are highly soluble in various organic solvents, such as N,N‐dimethylacetamide (DMAc), chloroform (CHCl₃), and tetrahydrofuran (THF). Differential scanning calorimetry (DSC) indicated that these PAMs had glass‐transition temperatures (T_gs) in the range of 170–230 °C, and a 10% weight‐loss temperatures in excess of 490 °C with char yield at 800 °C in nitrogen higher than 60%. These PAMs in NMP solution showed UV‐Vis charge‐transfer (CT) absorption at 405–421 nm and photoluminescence peaks around 462–466 nm with fluorescence quantum efficiency (Φ_F) 0.10–0.99%. The highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels of these PAMs can be determined from cyclic voltammograms as 4.86–5.43 and 3.31–3.34 eV, respectively. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 4921–4932, 2007     

Metal complexes of 2-hetarylindandiones-1,3

The chelate and molecular complexes of 2-(2-benzazolyl, perimidyl)-indandiones-1,3 were synthesized for the first time. The structures of the ligands (tautomeric forms) and complex compounds were determined from the X-ray diffraction, ¹H, ¹³C NMR, and IR data and the quantum-chemical calculations (RHF SCF in 6-31 G** basis).