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  • 1
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 6 (1993), S. 15-22 
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Zinc(II) complexes of N-pyridylcinnamides (H, m-OCH3, p-OCH3 and p-OH derivatives) were studied by spectrophotometric methods in aprotic media, and represent a chemical model inhibition by cinnamides of coniferyl alcohol dehydrogenase (CAD), a zinc enzyme involved in the lignification process. The complexation of N-pyridylcinnamide and m-methoxy-N-pyridylcinnamide with zinc ion is effected according to a 1 : 1 stoichiometry (ML), whereas a two-step equilibrium (M + L ⇌ ML \documentclass{article}\pagestyle{empty}\begin{document}$ V_{\rm m} = 4 \cdot 45C_0 + 6 \cdot 44C_1 - 3 \cdot 33C_2 + 0 \cdot 46C_4 + 52 \cdot 9{\rm (}n = 300,r = 0 \cdot 999,s = 0 \cdot 81) $\end{document} ML2) is preferred with p-methoxy and p-hydroxy compounds. These ligands are mainly bonded through the carbonyl oxygen atom and the nitrogen of the pyridyl ring. Molar absorptivities for these complexes, not directly available, were calculated from analysis of the experiemental data. The UV complexation results are also supported by the stoichiometry of the complexes, which were synthesized and characterized.
    Additional Material: 4 Ill.
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  • 2
    Electronic Resource
    Electronic Resource
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 31 (1993), S. 2123-2127 
    ISSN: 0887-624X
    Keywords: o-alklyaniline ; poly(o-alklyaniline) ; conducting polymer ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 2-Alkylanilines with alkyl groups in the range of 4-15 carbon atoms were synthesized via a known method as well as via a more general path which should allow the introduction of a larger variety of substituted alkyl groups into the ortho position of aniline, e.g., alkenyl or OH, NH2, COOH, and phenyl functionality. Polymerization was found to be achievable according to a method previously described for unsubstituted aniline, i.e., chemically with Cu(ClO4)2 · 6H2O in acetonitrile. Intrinsic viscosities of the obtained poly(2-alkylaniline)s lay between 0.10 and 0.26 dL/g (97% H2SO4 at 30°C). The dc conductivity of the HCl salts decreased with increasing length of the alkyl side chains from 1 S/cm (polyaniline) over 3 X 10-4 S/cm [poly(2-butylaniline)] to 1 X 10-6 S/cm poly(tridecylaniline). Further characterization of the polymers were performed by means of UV/VIS/NIR-and-IR spectroscopy, in dilute solutions or as KBr pellets, respectively, and by solubility tests. © 1993 John Wiley & Sons, Inc.
    Additional Material: 2 Ill.
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  • 3
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 15 (1992), S. 124-130 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The adsorption of p-nitrophenol (PNP) from an NaOH, H3PO4-buffered, aqueous solution on activated carbon was studied at pH 2, 7, and 8.5. Comparative studies were then carried out on ozonized carbon and ozonized PNP solution. In the latter case, PNP adsorption was performed from an ozonized solution, and also after exposing the activated carbon to the ozonized PNP solution for 24 h. At acid pH, PNP adsorption was found to be markedly higher than at neutral and weakly basic pH's. Ozonization of carbon affects the results only at pH 7 and 8.5. Ozonization of PNP led to a small decrease in adsorption, irrespective of the method of contect between carbon and ozonization reaction products. The rate was faster at acid than at basic pH, and the ozonization speeded up the adsorption slightly but only at pH 8.5. Application of a mathematical model indicated that mass transfer in bulk solution controls the rate of adsorption.
    Additional Material: 6 Ill.
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  • 4
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 52 (1994), S. 9-15 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The vibrational Stark effect together with nuclear relaxation and vibrational contributions to the static molecular electric properties of the N2O molecule are computed using ab initio molecular orbital thoery. Contributions to the molecular properties are computed by finite-difference techniques involving the energy vs. the uniform electric-field strength. © 1994 John Wiley & Sons, Inc.
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  • 5
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Environmental effects on the electronic structure of molecules caused by external perturbations are studied by means of an expansion of molecular orbital wave functions into valence-bond (VB) wave functions. Applications are carried out to the π system of butadiene, hydroxyethylene, acrolein, and carbonyl oxide and also to the full electronic system of water. The external perturbations considered are uniform electric fields, nonuniform electric fields, and reaction fields created by solvents. A different behavior is found between nonpolar and polar species in the presence of solvents. Some consequences on the behavior of molecules under the influence of the different electric fields are discussed.
    Additional Material: 3 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 44 (1992), S. 887-895 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Valence-bond calculations have been carried out on ZnO and HgO using a basis set of Slatertype atomic orbitals and the one- and two-electron integrals as computed in the semiempirical AM1 molecular orbital method. The zero differential overlap approximation has been used to calculate integrals between atomic orbital Slater determinants using the rules for matrix elements between determinants formed by orthogonal orbitals. Diabatic and adiabatic curves have been analyzed for the two systems, and results compared with molecular orbital AM1 results. © 1992 John Wiley & Sons, Inc.
    Additional Material: 2 Ill.
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  • 7
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 47 (1993), S. 307-317 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This contribution analyzes the changes in the intrinsic reaction coordinate (IRC) and in the potential energy profiles (PEP) caused by application of a uniform electric field evaluated using standard ab initio MO methods. Two typical organic processes have been studied, namely, the Friedel-Crafts and the Walden inversion reactions, which are modeled by suitable simple systems. The results for the Walden inversion reaction show that the IRC for the field-free and that for perturbed processes are almost coincident; in this case, using the field-free IRC to compute the perturbed energy profile is a very good approximation. On the contrary, for the Friedel-Crafts model reaction, the two IRCs differ slightly, so the energy profiles using the perturbed and the unperturbed IRCs are somewhat different. © 1993 John Wiley & Sons, Inc.
    Additional Material: 7 Ill.
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  • 8
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Direkte elektrochemische Synthese und Kristallstruktur des Zink(II)-carbamato-Komplexes{[N-methyl-N′-[(2-pyrrolyl)methylen]ethylendiamin][N-methyl-N-[2-[(2-pyrrolato)methylenamino]ethyl]carbamato]}zink(II)Die elektrochemische Oxidation von anodischem Zink in Acetonitril-Lösung einer Schiffschen Base, die aus Hpyrrol-2-carbaldehyd und N-methylethyldiamin dargestellt wurde, ergibt[Zn(C8H13N3)(C9H11N3O2)], dessen Kristallstruktur röntgenographisch bestimmt wurde. Die Verbindung kristallisiert im orthorhombischen Kristallsystem, mit der Raumgruppe Pbca und a = 13,757(2), b = 17,748(4), c = 14,808(4) Å, Z = 8. Die Verfeinerung führte bis zu einem R-Wert von 0,049 für 1407 unabhängige, beobachtete Reflexe. Die Kristallstruktur besteht aus monomeren Molekülen, in denen die zentrale ZnN4O-Einheit eine verzerrt trigonal bipyramidale Geometrie aufweist. Die Carbamatogruppe ist einzähnig gebunden.
    Notes: The electrochemical oxidation of anodic zinc in an acetonitrile solution of a Schiff base derived from Hpyrrole-2-carbaldehyde and N-methylethylenediamine gives [Zn(C8H13N3)-(C9H11N3O2)], whose crystal structure has been determined. The compound crystallizes in the orthorhombic space group Pbca (No. 61) with a = 13.757(2), b = 17.748(4), c = 14.808(4) Å and Z = 8. Refinement converged to R = 0.049 for 1407 independent observed reflections. The crystal structure consists of monomeric molecules in which the central ZnN4O unit has distorted trigonal bipyramidal geometry and the carbamato group is monodentate.
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  • 9
    ISSN: 0044-2313
    Keywords: Electrochemical synthesis ; nickel(II) complexes of Schiff bases ; 2,2′ bipyridine bis 2-(phenyl)-iminomethyl pyrrolato nickel(II) ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Elektrochemische Synthese von Nickel(II)-Komplexen mit Schiffschen Basen: Kristallstruktur von 2,2′-Bipyridin-bis{2-[(phenyl)iminomethyl]pyrrolato}nickel(II)Die elektrochemische Oxidation von anodischem Nickel in einer Acetonitril-Lösung mit einer aus H-pyrrole-2-carbaldehyd abgeleiteten Schiffschen Base, einem substituierten Anilin und einem Stickstoff-Liganden (1,10-Phenanthroline (phen), 2,2′-Bipyridin (bipy) oder Pyridin (py)) liefert die gemischten Komplexe NiL2 · phen, NiL2 · bipy bzw. NiL2 · (py)2. Die Kristallstruktur von 2,2′-Bipyridin bis{2-[(phenyl)iminomethyl]-pyrrolato}nickel(II) wurde röntgenographisch bestimmt. Der. Komplex kristallisiert triklin in der Raumgruppe P1, mit den Gitterkonstanten a = 12,316(1), b = 13,169(4), c = 17,251(3) Å, α = 82,67(3)°, β = 83,66(1)°, γ = 87,34(2)°, Z = 4; besteht aus monomeren Molekülen mit der zentralen NiN6-Einheit mit verzerrt oktaedrischer Geometrie.
    Notes: The electrochemical oxidation of anodic nickel in acetonitrile solution containing both (a) a Schiff base HL derived from H-pyrrole-2-carbaldehyde and a substituted aniline, and (b) a nitrogen ligand (1, 10-phenanthroline (phen), 2,2′-bipyridine (bipy) or pyridine (py)) yielded the mixed complexes NiL2 · phen, NiL2 · bipy and NiL2 · (py)2. The crystal structure of 2,2′-bipyridine bis{2-[(phenyl)iminomethyl]pyrrolato}nickel(II) was determined by X ray diffraction. Crystals are triclinic space group P1, with four molecules in the unit cell of dimensions a = 12.316(1), b = 13.169(4), c = 17.251(3) Å, α = 82.67(3)°, β = 83.66(1)° and γ = 87.34(2)°, and consist of monomeric molecules in which the central NiN6 unit has a distorted octahedral geometry.
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  • 10
    ISSN: 0044-2313
    Keywords: Electrochemical synthesis ; Schiff bases metal complexes ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Elektrochemische Synthese von Metall(II)-Komplexen mit Schiffschen Basen: Kristallstruktur von Bis{2-[(4-methylphenyl)iminomethyl]pyrrolato}kupfer(II)Die elektrochemische Oxidation von anodischem Metall (Nickel, Kupfer, Zink, Cadmium) in einer Acetonitril-Lösung mit einer aus H-pyrrol-2-carbaldehyd abgeleiteten Schiffschen Base eines substitutierten Anilins (HL) liefert die gemischten Komplexe ML2. Die Kristallstruktur von Bis{2-[(4-methylphenyl)iminomethyl]pyrrolato}kupfer(II) wurde röntgenographisch bestimmt. Der Komplex kristallisiert monoklin in der Raumgruppe P21/n, a = 9,356(2), b = 16,697(2), c = 14,145(2) A, β = 108,47(2)°, Z = 4, und er besteht aus monomeren Molekülen, von denen die zentrale CuN4-Einheit eine verzerrt-tetraedrische Geometrie besitzt mit einem Diederwinkel der Flächen von 25,8(3)°. Die IR, 1H-NMR und UV-VIS Spektren werden im Zusammenhang mit der Struktur diskutiert.
    Notes: The electrochemical oxidation of anodic nickel, copper, zinc or cadmium in acetonitrile solutions of Schiff bases (HL) derived from H-pyrrole-2-carbaldehyde and substituted anilines gives compounds of general formula ML2. The crystal structure of bis{2-[(4-methylphenyl)iminomethyl]pyrrolato}copper(II) has been determined by X-ray diffraction. The compound crystallizes in the monoclinic space group P21/n with a = 9.356(2), b = 16.697(2), c = 14.145(2) Å and β = 108.47(2)°. The crystal structure consists of monomeric molecules in which the central CuN4 unit has distorted square-planar geometry with a dihedral angle of 25.8(3)° between the coordination planes. The IR, 1H NMR and UV-visible spectra of the complexes are discussed and related to the structure.
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