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Showing 1 to 20 of 49 for “"Activation parameters"”.
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Thermodynamic and activation parameters of redox reactions of transition metal coordination compounds
Contains fulltext : mmubn000001_027597504.pdf (Publisher’s version ) (Open Access)
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Determination of the Activation Parameters of Reaction Between [Fe(CN<sub>6</sub>]<sup>-4</sup> and K[Co(HEDTA)NO<sub>2</sub>].
… studied in order to get the mechanism and the activation parameters of the reaction. Using a freshly-made Na<sub>3</sub>PO<sub>4</sub> solution as the reaction medium with a pH of 6.00 the ionic strength was maintained at 0.10 M and the buffer molarity was 0.001 M.</p><p>The rate constant …
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The kinetics of successive aquation reactions of tetraamminepalladium (II) ion
… of the reaction series at various temperatures. Activation parameters were determined. (Equations) Mechanisms for the consecutive reactions are proposed, and cis and trans effects are discussed.
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Lewis Base Catalyzed Enantioselective Aldol Additions: Preparative and Mechanistic Studies
… two phosphoramides. Determination of Arrhenius activation parameters revealed that aldol addition occurs through the reversible albeit unfavorable formation of an activated complex. Finally, natural abundance 13C NMR kinetic isotope effect (KIE) studies have determined aldolization to be rate …
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Hydrogen segregation, defects, and interactions with dislocations in nickel and aluminum
… the effects of hydrogen and carbon on the activation parameters for dislocation slip in macroscopic nickel tensile specimens. The results show that hydrogen increases the dislocation mobility in Ni and in Ni-H alloys by reducing the activation enthalpy for dislocation motion and carbon …
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Computing the energetic component of the charge-transfer symmetry factor
… the location of the transition state and activation parameters. The knowledge of the reaction coordinate is exploited in two ways: to compute activation parameters from umbrella integration (UI) and Marcus theory (MT) based simulations assuming linear response and to test the accuracy of …
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Part One: Ozonolysis of Diphenylvinylene Carbonate. Synthesis and Thermolysis of Dibenzoyl Monoperoxycarbonate. Part Two: Singlet Oxygen: The Lifetime of Singlet Oxygen in Solution and Its Reaction With Ene-Type Olefins
… the rate of decay is significantly faster. The activation parameters for the decay of dibenzoyl monoperoxycarbonate were found to be consistent with the simultaneous cleavage of two bonds in the initial step.
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Mechanistic Studies of the Chemical Vapor Deposition of Ceramic and Metal Films From Organometallic Precursors
… elimination reaction to form neopentane. The activation parameters for this $\alpha$-hydrogen elimination process are $\rm\Delta H\sp\ddagger = 21.5 \pm 1.4$ kcal/mol and $\rm\Delta S\sp\ddagger = -16.6 \pm 3.8$ cal/mol K.
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Dielectric studies of aldehyde group relaxation in some aromatic aldehydes
… group relaxation in terephtha1dehyde, the Eyring parameters are 6H -1 E = 29.3 kJ mol and 6S -1 -1 E = 15.1 JK mol • We found that changing the medium from polystyrene to polypropylene or polyethylene has little effect on the activation parameters for the intramolecular process whilst causing a …
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Plastic deformation of gallium arsenide
… discrepancy and also the different values of the activation parameters reported in the literature was explained in terms of the contributions of temperature induced effects to the plastic strain rate . The dislocation densities in the deformed samples obtained by counting dislocation etch pits …
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Особенности структурно-механических свойств нефтяных дисперсных систем
… properties and thermody-namic activation parameters for viscous flow in oil dispersed systems (ODS) of various composition (paraffin and naph-thene and aromatic bases) from Timan-Pechora petroleum region (Russia) in a broad range of temperatures and shear rates and under the …
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The reaction pathways of hydrogen peroxide in the presence of scavengers and its transition metal catalyzed oxidation of disulfide bridge containing peptides
… theory calculations. In order to calculate the activation parameters of the formation and breakdown of the intermediate a low temperature 13C-NMR protocol has been developed that allowed to record intergable spectra of sodium pyruvate, the intermediate and the products formed by the reaction …
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A kinetic study of the base catalyzed ring opening of 9-methylcaffeine halide and its homologs
… kinetics over the pH range of 7.28 to 10.81. Activation parameters were found to be: Ea = 29.4 Kcal mole<sup>-1</sup>, △H<sup>+</sup> = 28.8 Kcal mole<sup>-1</sup> , and △S<sup>+</sup> = 27.4 cal mole<sup>-l</sup> deg <sup>-1</sup> The kinetics were studied in the presence of micelles and no …
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Activation of white phosphorus by molybdenum- and uranium tris-amides
… phosphorus (P₄). A comparison of the rates and activation parameters of these reactions indicates that 2 is not an intermediate on the pathway from 1 to products, but rather than the molybdaziridine-hydride "opens" upon substrate binding in an associative process. Synthesis and characterization …
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Synthesis and characterization of diphosphine ligand substituted osmium and ruthenium clusters.
… agents (CO and PPh3). On the basis of the activation parameters and reaction rates that are unaffected by added CO and PPh3, a sequence involving the nondissociative migration of a phosphine moiety and two CO groups between basal ruthenium centers is proposed and discussed. The substitution …
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Atomistic simulations of elastic-plastic deformation of amorphous polymers
… throughout deformation. In the glassy regime, activation parameters were calculated in the context of the Eyring Model of flow in a solid. In addition, observations were made of the evolution of chain configuration and the correlation of transitions between dihedral angle states. Below the …
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The cure of and moisture ingress into epoxy resins
… although sensitive to the cure process, exhibit activation parameters which can be significantly different from those obtained by other methods. The differences observed can be rationalised on the basis of the influence of the short range molecular mobility of the matrix on the electrical …
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Part 1. Lewis Base-Catalyzed Cross-Aldol Reactions of Aldehydes: Preparative and Mechanistic Studies. Part 2. Initial Studies on Lewis Base-Catalyzed Reactions of Silyl Ynol Ethers With Aldehydes
… aromatic aldehydes exist. Studies of Arrhenius activation parameters and 12C/13C kinetic isotope effects at natural abundance indicated that no significant change in mechanism occurs up on changing the electronic nature of aldehydes. The divergent trends in selectivity were interpreted according …
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The synthesis and stereodynamics of cyclopentadienyl ruthenium chalcogenide clusters
… do not involve hindered RCp rotation. The activation parameters were evaluated from analyses of the line shapes as a function of temperature; the free energies of activation range from 52 to 55 kJ/mol for all clusters.
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The chemistry of some triphenylmethane dyes
… studied have been used to derive thermodynamic activation parameters and to test the applicability of an isokinetic relationship in the systems. A novel reaction pathway for the synthesis of pyrroloindoles from 2-pyrrol-l-yl substituted dyes is advanced.
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