Nucleophilic substitution in 4-bromo-5-nitrophthalodinitrile: VIII. Synthesis of 4-(benzotriazol-1-yl)-5-[4-(1-methyl-1-phenylethyl)phenoxy]phthalodinitrile and phthalocyanines on its basis

Nucleophilic aromatic substitution of the bromine atom in 4-bromo-5-nitrophthalodinitrile by a 2-aminophenylamine residue followed by conversion of the resulting compound to 4-(1-benzothiazol-1-yl)-5-nitrophthalodinitrile and nucleophilic substitution of the nitro group by a 4-(1-methyl-1-phenylethyl)-phenoxy group gave 4-(benzotriazol-1-yl)-5-[4-(1-methyl-1-phenylethyl)phenoxy]phthalodinitrile. The latter product was reacted with certain metal acetates and chlorides to obtain the corresponding metal complexes of octasubstituted phthalocyanines. Spectral properties of the complexes were studied.     

A Novel Niobium Cluster Aqua Ion with Capping μ4‐Se Ligand

The aqueous solution chemistry of niobium is underexplored, and well characterized aqua complexes are scarce. In this contribution, a new niobium aqua complex was obtained by treatment of Zn‐reduced ethanolic solution of NbCl₅ with HCl in the presence of a selenide source (ZnSe). This is the first example of selenium containing aqua complex of niobium. The yellow‐green aqua complex was isolated by cation‐exchange chromatography and transformed into corresponding isothiocyanate complex by ligand exchange, which was crystallized as (PyH)_4.5[H_1.5Nb₄SeO₅(NCS)₁₀] · 0.5H₂O. X‐ray structural analysis revealed a metal‐metal bonded tetranuclear {Nb₄(μ₄‐Se)(μ₂‐O)₅}⁴⁺ core with a capping μ₄‐Se ligand.     

Theory of relaxation spectra of polymer networks with interchain friction and long-range hydrodynamic interactions

The dynamic network model taken into account the friction relative to incompressible effective viscous medium (EVM), the hydrodynamic interactions of a network with the EVM, and the interchain friction is considered. Two collective network relaxation spectra (RS) arise. The first RS corresponds to the network motion relative to immobile EVM, the EVM does not take part in this motion. The second RS includes the combined viscous motion of the network and EVM because of long-range hydrodynamic interactions. This RS is finite and narrow for infinitely large network. The symmetry of this motion is in concordance with that of incompressible EVM. The existence of interchain friction leads to the narrowing of both types of relaxation spectra.     

The theoretical research of the medium effect on the vibrational spectrum and the energy of intramolecular coordination O → Si in (benzoyloxymethyl)trifluorosilane molecule

The characteristics of (benzoyloxymethyl)trifluorosilane C₆H₅C(O)OCH₂SiF₃ containing a five-membered heterocycle closed by intramolecular coordination O → Si bond (Ia) and its most stable acyclic isomer (Ib) have been calculated by HF, MP2(Full) non-empirical methods, and DFT(B3LYP) using 6-311G(d) and 6-311 + G(2d,p) basis sets. The (C₈H₁₈, C₆H₆, (C₄H₉)₂O, CHCl₃, (CH₂)₄O, CH₂Cl₂, CH₃CN) medium effect on the energy and structural characteristics, dipole moments, and vibrational spectra of Ia and Ib isomers was calculated by the DFT(B3LYP)/6-311 + G(2d,p) method in the Onsager SCRF model approximation. The DFT(B3LYP)/6-311 + G(2d,p) calculation reasonably reproduces the medium effect on coordination energy, geometry, dipole moments, and band frequencies in the vibrational spectrum of Ia.     

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.     

The role of molecular-kinetic and thermal factors in inhibition of steady detonation

It was experimentally shown that the reaction of the combustion of hydrogen–air mixtures in a detonation wave virtually completely (with an accuracy of 1%) occurs by a branched-chain mechanism; it is this mechanism that determines the characteristics of the detonation wave.     

Synthesis of chalcones from 3-formyl-substituted pyrrolo[3,4-<Emphasis Type="Italic">f</Emphasis>]indole-5,7-diones

General methods to access new 3-formyl-substituted 1-methoxypyrrolo[3,4-f]indole-5,7-diones were developed. The synthesized 3-formylindoles react with heterocyclic aceto-phenones under acid-catalyzed conditions to give different chalcones.     

芫花有效成分的研究——Ⅲ.新的二萜原酸酯芫花酯丙的分离与结构

瑞香科植物芫花的花以乙醇提取,除分得芫花酯甲、酯乙外,尚分得新的二萜原酸酯芫花酯丙。根据光谱和化学反应确定其结构为1。从该植物根的石油醚提取物中分得已知二萜原酸酯-12-苯甲酰氧基瑞香毒素(2)。1和2均对皮肤有刺激作用,1对孕猴具有引产作用。     

A method for the numerical solution of the Painlevé equations

A numerical method for solving the Cauchy problem for all the six Painlevé equations is proposed. The difficulty of solving these equations is that the unknown functions can have movable (that is, dependent on the initial data) singular points of the pole type. Moreover, the Painlevé III–VI equations may have singularities at points where the solution takes certain finite values. The positions of all these singularities are not a priori known and are determined in the process of solving the equation. The proposed method is based on the transition to auxiliary systems of differential equations in neighborhoods of the indicated points. The equations in these systems and their solutions have no singularities at the corresponding point and its neighborhood. Such auxiliary equations are derived for all Painlevé equations and for all types of singularities. Efficient criteria for transition to auxiliary systems are formulated, and numerical results illustrating the potentials of the method are presented.