Palladium pincer complexes Pd(BH4)[{2,5-(R2PCH2)2C5H2}Fe(C5H5)] (R = Pri,But) with unidentate borohydride ligand

Russian Chemical Bulletin -     

Azines and azoles. 64. Mass spectra and tautomerism of 2-aryl-4,6-dioxo-1,3-thiazines

Mass spectra of 2-aryl-4,6-dioxo-1,3-thiazines were studied and the general fragmentation paths of these compounds determined. Based on mass spectra of compounds with fixed structures, 2-aryl-5,5-dialkyl-4,6-dioxo-1,3-thiazines, 4-alkoxy- and 4-acyloxy-2-aryl-6-oxo-1,3-thiazines, the decomposition paths of the dicarbonyl and hydroxycarbonyl forms were determined. It was concluded on the basis of the obtained data that 2-aryl-4,6-dioxo-1,3-thiazines exist in the gas phase predominantly in the hydroxycarbonyl form.For Communication 63, see [1].Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10, pp. 1409–1412, October, 1987.     

Synthesis and the crystal structure of the triosmium cluster with the μ-dehydrobenzene ligand,Os3(μ-H)2(CO)7(μ-C6H4){μ3-Ph2PCH2P(C6H4)Ph}

The Os₃(-H)₂(CO)₇(-C₆H₄){₃-Ph₂PCH₂P(C₆H₄)Ph} complex, which was isolated from the products of thermolysis of Os₃(CO)₁₀(-dppm) (dppm is Ph₂PCH₂PPh₂) in toluene, was characterized by X-ray diffraction analysis. Protonation of the resulting complex with trifluoroacetic acid afforded the cationic complex [Os₃(-H)₃(CO)₇(-C₆H₄){₃-Ph₂PCH₂P(C₆H₄)Ph}]⁺.     

New π-conjugated electroluminescent polymers containing organoiridium quinolinolate complexes in the backbone and light diodes formed on their basis

New conjugated copolyfluorenes containing covalently bound quinolinolate complexes of iridium in the backbone are synthesized under conditions of the Yamamoto reaction. The structures and properties of the polymers are characterized via NMR spectroscopy, GPC, TMA, and TGA. All copolymers show solubility in common organic solvents and feature good thermal and thermo-oxidative properties. The absorption, luminescence, and electrochemical properties of the polymers are investigated. In thin films, the polymers emit blue light with wavelengths in the range 450–470 nm. The electroluminescence spectra of the copolymers show broad intense bands in the visible region with maxima at 500–525 nm corresponding to various emission colors with the chromaticity coordinates (0.361, 0.437) and (0.247, 0.411). The synthesized iridium-containing copolyfluorenes may be used as electron-hole transport materials in light-emitting diodes.     

Evolutionary Algorithm-based Crystal Structure Prediction for Gold(I) Fluoride

Solid gold(I) fluoride remains as an unsynthesized and uncharacterized compound. We have performed a search for potential gold(I) fluoride crystal structures using USPEX evolutionary algorithm and dispersion-corrected hybrid density functional methods. Over 4000 AuF crystal structures have been investigated. Behavior of the AuF crystal structures under pressure was studied up to 25 GPa, and we also evaluated the thermodynamic stability of the hypothetical AuF crystal structures with respect to AuF₃, AuF₅, and Au₃F₈. Mixed-valence compound Au₃[AuF₄] with Au atoms in various formal oxidation states emerged as the thermodynamically most stable AuF species.     

Small-Angle Neutron Scattering at the Pulsed Reactor IBR-2: Current Status and Prospects

Crystallography Reports - Neutron diffraction studies on the small-angle neutron spectrometer YuMO (Joint Institute for Nuclear Research, Dubna), based on the IBR-2 pulsed reactor, have been...     

Small-angle scattering from the deterministic fractal systems<Superscript>1</Superscript>

The intensity profile of small-angle neutron sc attering from three-dimensional triadic Cantor and Vicsek fractals is calculated when the fractal sets are monodisperse and their positions are uncorrelated. It is shown that the scattering intensities present minima and maxima superimposed on a power-law decay with the exponent coinciding with the fractal dimension of the scatterer. This is in accordance with the scattering from similar systems like Menger sponge or fractal jacks, which all exhibit the same behavior. For a finite iteration, the Porod power decay of the intensity is displayed at large values of momenta beyond the fractal region.