A new arc algorithm for unconstrained optimization

The gradient path of a real valued differentiable function is given by the solution of a system of differential equations. For a quadratic function the above equations are linear, resulting in a closed form solution. A quasi-Newton type algorithm for minimizing ann-dimensional differentiable function is presented. Each stage of the algorithm consists of a search along an arc corresponding to some local quadratic approximation of the function being minimized. The algorithm uses a matrix approximating the Hessian in order to represent the arc. This matrix is updated each stage and is stored in its Cholesky product form. This simplifies the representation of the arc and the updating process. Quadratic termination properties of the algorithm are discussed as well as its global convergence for a general continuously differentiable function. Numerical experiments indicating the efficiency of the algorithm are presented.     

Synthesis of 4-hydroxy- and 4-mercaptoquinazoline derivatives

The reaction of selenoesters with o-aminobenzamide and o-aminothiobenzamide derivatives led to the formation of 4-hydroxy- and 4-mercaptoquinazolines. Their structures were elucidated by means of elemental analyses and spectropic data (nmr and ms).     

Hydrogen‐bonding and π–π stacking interactions in aquachloridobis(1,10‐phenanthroline)cobalt(II) chloride dichloridobis(1,10‐phenanthroline)cobalt(II) hexahydrate

The title compound, [CoCl(C₁₂H₈N₂)₂(H₂O)]Cl·[CoCl₂(C₁₂H₈N₂)₂]·6H₂O, is the first example of a new 1:1 cocrystal of the octahedral [CoCl₂(phen)₂] and [CoCl(phen)₂(H₂O)]⁺·Cl⁻ complexes (phen is 1,10‐phenanthroline). The latter form heterochiral dimers held by strong π–π stacking interactions via their phenathroline ligands, which confirms that π stacking is an important and reliable synthon in supramolecular design. In addition, the crystal structure is networked by H₂O...H₂O, H₂O...Cl⁻ and H₂O...Cl hydrogen bonds, which interconnect the different units of the cobalt complexes.     

Micellar effects on a ligand substitution reaction: Kinetics of the formation of [Fe(CN)5(μ‐pz)Ru(NH3)5]−, from [Fe(CN)5H2O]3− and [Ru(NH3)5pz]2+, in the presence of anionic micelles

The kinetics of substitution of H₂O by Ru(NH₃)₅pz²⁺ (pz = pyrazine) in Fe(CN)₅H₂O^3? have been studied in micellar aqueous solutions of sodium dodecylsulfate (SDS). Experimental results are discussed by using an approach based on the transition‐state theory. This approach is better than others based on the pseudophase model, which can also be used, because it is able to give a clear meaning to the parameters of the model. Trends in the observed reactivity are explained by a change in the degree of association of one of the reactants to the micelles (Ru(NH₃)₅pz²⁺ in the present work). This association is governed by an equilibrium constant that depends on the electrostatic potential at the surface of the micelles. © 2004 Wiley Periodicals, Inc. Int J Chem Kinet 36: 627–633, 2004     

Supra­molecular assembly of (methanol)[10,15,20‐tris­(4‐cyano­phenyl)‐5‐(4‐pyridyl)­porphyrin­ato]­zinc(II) by inter­molecular hydrogen bonding and weak coordination

The crystal structure of the title compound, [Zn(C₄₆H₂₄N₈)(CH₄O)], consists of two‐dimensional supra­molecular arrays sustained by O—H⋯N(pyrid­yl) hydrogen bonding and weak Zn⋯NC coordination. The inter­layer organization in the crystal structure is characterized by tight stacking of the corrugated layers.     

Local and itinerant magnetism and superconductivity in R Rh2si2 (R = rare earth)

Magnetization and Mossbauer studies reveal that R Rh₂Si₂ (R = rare earth) have two magnetic phase transitions, one corresponding to the ordering of the rare earth (T^N = 27?130K) and the other to the itinerant electron ordering of the Rh sublattice (T^M= 5?17K). LaRh₂si₂ has also been studied by resistivity, specific heat and a.c. susceptibility measurements. All studies indicate that LaRh₂Si₂ orders magnetically at T^M= 7K and becomes superconducting, type II, at T^c= 3.8±0.2K.     

Properties of polyphenylene films deposited electrochemically in an HF-benzene system

Free-standing polyphenylene films, prepared by the electrochemical oxidation of benzene in an HF-benzene, two-phase system, were investigated. From electron microscope pictures, x-ray diffraction patterns, and infrared (IR) spectra of polyphenylene films and commercial polyphenylene powder it is concluded that the films, which are largely para linked, contain in addition a substantial amount of meta and possibly ortho linkages and are amorphous in nature. Doping with AsF₅ increases the electrical conductivity of the otherwise insulating films to 10^?4?10^?2ohm^?1cm^?1; doped films are relatively stable in air. The lower conductivity of doped films with respect to reported values for chemically synthesized poly-p-phenylene appears to be the result of the amorphous nature of the films.