Critical Points in a Crystal and Procrystal

The critical points in the model electron density distributions of LiF, NaF, NaCl, and MgO crystals, constructed from accurate X-ray diffraction data, are determined. For LiF and MgO they are compared with those obtained from a Hartree–Fock electron density calculation. Both experiment and theory show the same type of critical points on the bond lines. The topological features in areas between structural units, where the electron density is low and near-uniform, turn out to be model dependent and cannot be established well with the data available. Topological analysis of procrystals (hypothetical systems consisting of spherical atoms or ions placed on the same sites as atoms in real crystal) show that (3, –1) critical points, usually connected with bonding interaction, are observed on interatomic lines in these nonbonded systems as well.     

Study of the extraction of strontium(II) and lead(II) by crown and dithiacrown ethers

A study was carried out on the extraction of strontium(II) and lead(II) picrates by chloroform solutions of crown and dithiacrown ethers. The benzene ring substituents in benzodithia-18-crown-6 only slightly affect the extraction of strontium and lead cations and their separation. The introduction of an adamantyl group onto the benzene ring markedly increases the extraction of lead and the separation selectivity of these cations. The use of dithia derivatives of benzo-18-crown-6 is less efficient for the extraction of both strontium and lead, though the selectivity of their separation is almost the same as in the extraction with benzo-18-crown-6.M. V. Lomonosov Moscow State University, 119899 Moscow. Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 8, pp. 1125–1129, August, 1997.     

Geminate Pairs and Their Role in Radiation-Induced Conductivity of Poly(methyl methacrylate)

Non-steady-state radiation-induced conductivity of poly(methyl methacrylate) was studied at room and elevated temperatures. It was shown that the conductivity is due to electric polarization of geminate pairs. The evolution of geminate pairs was rationalized in terms of the Rose–Fowler–Weisberg generalized model. The conclusions by the model were compared with the results of previous studies on the kinetics of formation and decay of geminate pairs upon pulse radiolysis or flash photolysis of doped poly(methyl methacrylate).     

Supramolecular Systems Based on Ca2+, [Mo3O2S2Cl6(H2O)3]2s-, [Mo3S4Cl6.75Br0.25(H2O)2]3s- and Cucurbit[6]uril

Adducts of cucurbit[6]uril with Ca²⁺ and trinuclear cluster chloroaquacomplexes (H₉O₄)₂(H₇O₃)₂[(Ca(H₂O)₅)2(C₃₆H₃₆N₂₄O₁₂)]Cl₈·0.67H₂O (1) and [(Ca(H₂O)₅)₂(C₃₆H₃₆N₂₄O₁₂)]× [Mo₃O₂S₂Cl₆(H₂O)₃]₂·13H₂O (2) are obtained and structurally characterized. The structures of both compounds contain polymeric [Ca(H₂O) _n ]₂² CB[6]∞ cations that form infinite columns; the space between them is filled with Cl^s- (1) and [Mo₃O₂S₂Cl₆(H₂O)₃]^2s- (2). A new (H₇O₃)₂(H₅O₂)× [Mo₃S₄Cl_6.25Br_0.25(H₂O)₂](C₃₆H₃₆N₂₄O₁₂)·CH₂Cl₂·6H₂O complex (3) is also obtained and structurally characterized.     

Production of no-carrier-added <Superscript>117m</Superscript>Sn from proton irradiated antimony

A method for production of no-carrier-added ^117mSn (NCA ^117mSn) has been developed. It includes proton irradiation of thick antimony targets and chemical recovery of ^117mSn by extraction of Sb with dibutyl ether and chromatographic purification on silica gel column. The method provides production of curie amounts of ^117mSn with specific activity about 1000 Ci/g and high radionuclidic purity.     

4-(2-Hydroxyaryl)-1,2,3-thiadiazoles as a Source of 2-Benzofuranthiolates

Following the Hurd-Mori procedure, 4-(2-hydroxyaryl)-1,2,3-thiadiazoles were synthesized from o-hydroxyacetophenones. Treatment of the products with bases gives 2-benzofuranthiolates which can be involved in alkylation and arylation reactions.     

Synthesis of Oxathiacrown Compounds by the Reactions of Sulfur Dichloride with Unsaturated Compounds and Their Extraction Characteristics. (Review)

Published data of the last 10-15 years on the use of the reactions of sulfur dichloride with various unsaturated compounds for the synthesis of oxathia- and thiacrown compounds and study of their extraction characteristics toward various transition and heavy metals are reviewed. Some previously unpublished results and associated experimental data are also included.     

STRUCTURE AND CATALYTIC PROPERTIES OF PALLADIUM(II) (ACETYLACETONATO- κ2O,O′)BIS(TRIS(DIETHYLAMINO)PHOSPHINE) TETRAFLUOROBORATE

Journal of Structural Chemistry - The structure of complex [Pd(acac){P(NEt2)3}2]BF4 (I) is determined by XRD. In the crystal structure of I, the coordination sphere of palladium is characterized by...     

First heteroleptic Mo<Subscript>3</Subscript>S<Subscript>7</Subscript> clusters containing non-innocent phenanthroline ligands

Reaction of the thiobromide [Mo₃S₇Br₆]²⁻ cluster anion with 5,6-dimethyl-1,10-phenanthroline (Me₂Phen) in solution leads to the substitution of two bromide ligands and the subsequent formation of a new mixed-ligand neutral complex [Mo₃S₇Br₄(Me₂Phen)] (I). Reaction of [Mo₃S₇Br₆]²⁻ with 5,6-dimethyl-1,10-phenanthroline in CH₂Cl₂ followed by treatment of I with Na(Dtc) · 3H₂O (Dtc = diethyldithiocarbamate) results in the new mixed-ligand cluster complex [Mo₃S₇(Dtc)₂(Me₂Phen)]²⁺ (IIa). Slow evaporation of the CHCl₃ solution of the complex in the presence of PF₆⁻ gives crystals of {[Mo₃S₇(Dtc)₂(Me₂Phen)]Br}PF₆ · 3CHCl₃ (II) characterized by X-ray structural analysis. Close contacts S...S result in the formation of cationic dimers {[Mo₃S₇(Dtc)₂(Me₂Phen)]₂}⁴⁺ which form infinite chains through additional S_ax...Br contacts. All compounds were characterized by IR, elemental analysis and ESI-MS. Synthesized complexes represent the first examples of heteroleptic Mo₃S₇ clusters containing phenanthroline ligands.     

Role of Heterogeneous Chain Termination in Flame Propagation

Kinetics and Catalysis - The kinetic characteristics of propagating flame were shown to depend on the chemical properties of the contacting solid surface and on the rates of heterogeneous...