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The paper describes selection rules implemented in a software generating "possible reaction mechanism", i.e. a set of elementary reactions chosen from all stoichiometrically possible reactions. The novelty of the approach lies in the fact that the user has to define all species involved (reactants, intermediates, products), and the rules applied with(More)
It has been established by combined absorption and fluorescence measurements that the cationic dye Oxazine 1 (OX) and the polyvalent anionic host calix[8]arenesulfonate (SCA8) form two complexes in simultaneous reactions: OX + SCA8 <--> OX.SCA8 (1), and OX.SCA8 + OX <--> OX(2).SCA8 (2). The equilibrium constants for the two reactions, as functions of the(More)
The photophysical properties of indoline (I) and three of its derivatives, namely, N-methylindoline (MI), 5-cyanoindoline (CI), and 5-cyano-N-methylindoline (CMI), are studied in H-donating solvents of varying polarity. Based on measurements of fluorescence yield and lifetime, and of triplet yield and hydrated-electron formation, two distinct mechanisms of(More)
The measurement of the relative quantum yield of singlet oxygen formation, a simple process without tedious sample deoxygenation, is shown to furnish data on the interaction of the excited photosensitizer with any additive (in this case stable free radicals) given to the sample. The rate constants derived from such measurements are in good agreement with(More)
A Monte-Carlo model for the simulation of alkene hydrogenation on metallic catalysts has been developed and implemented in Fortran language. We describe the model employed for ethylene hydrogenation on platinum and show the flow chart of the program. Computational characteristics such as number of necessary calculations to reach steady state, running times(More)
The ground- and excited-state protonation of Coumarin 102 (C102), a fluorescent probe applied frequently in heterogeneous systems with an aqueous phase, has been studied in aqueous solutions by spectroscopic experiments and theoretical calculations. For the dissociation constant of the protonated form in the ground state, pKa = 1.61 was obtained from the(More)
The quenching of singlet oxygen (1deltag) by cobalt(III)-bis-1,2-benzosemiquinone-diiminato complexes (general structure LCo(111)(BQDI)2ClO4) has been studied in different solvents by measuring the singlet oxygen phosphorescence decay in time-resolved experiments. The axial ligand (Ph3As, Ph3Sb, N-methyl-imidazole, pyrrolidine) has practically no influence(More)
In the photochemical reactions of triplets of both protoporphyrin-IX-dimethyl-ester (PP) and haematoporphyrin dihydrochloride (HP) with alpha-phenyl-ethyl hydroperoxide (HROOH) in C6H6 at room temperature, both O-O and C-C bonds are broken yielding alkoxy and carbon-centred radicals. The ruptures of C-C and O-H bonds were observed in the photochemical(More)
The photolysis reactions of 4'-diethylamino-3-hydroxyflavone (D), a versatile fluorescent probe showing excited-state intramolecular proton transfer (ESIPT), and the magnesium chelate of D (MgD(2+)) have been studied in acetonitrile solution. Upon UV irradiation both species were oxidized into O-4-diethylaminobenzoyl salicylic acid, differently from the(More)