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Informationen zum Autor Professor Oleg Temkin is a well known specialist in the field of Chemical Kinetics, Catalysis with Metal Complexes, Alkynes Chemistry and Mathematical Chemistry. He is a professor of M.V. Lomonosov Moscow State University of Fine Chemical Technologies. Professor Temkin is a co-author of 3 monographs and 2 Chapters in monographs, as well as more than 360 scientific publications including reviews, in such journals as J. Mol. Catal., Organometallics, J. Phys. Chem., J. Chem. Soc. Chem. Commun., Inorg. Chim. Acta,? Langmuir, J. Chem.Ed., React. Kinet. Catal. Lett., J. Chem. Inf. Comput. Sci.,? Mathem.Chem., J. Comput. Chem., J. Mol. Structure(Theochem) as well as in Russian Journals. Klappentext This book presents a comprehensive summary of the results obtained over the last sixty years in the field of kinetics and mechanisms of organic and inorganic reactions catalyzed with metal complexes.The specificity of the catalytic reaction kinetics in the presence of the different form of mono- and polynuclear metal complexes and nanoclusters is discussed. The multiroute mechanisms and the methods of their identification as well as approaches to the polyfunctional catalytic systems kinetics are presented. In addition, the mechanisms of active centers formation and the real, non-ideal catalysts action are systematized and classified. The role and the place of kinetic methods in mechanism studies and the foundation of a rational strategy of theoretically-based kinetic model design is also considered. The kinetic models and mechanisms of many homogeneous catalytic processes employed in synthetic and commercial chemistry are presented. Zusammenfassung This book presents a comprehensive summary of the results obtained over the last sixty years in the field of the kinetics and mechanisms of organic and inorganic reactions catalyzed with metal complexes. Inhaltsverzeichnis Notations and Abbreviations xi Preface to English Edition xvii Preface xix Acknowledgments xxi About the Author xxiii Introduction 1 1 State-of-the-Art in the Theory of Kinetics of Complex Reactions 21 1.1 Main concepts of the Horiuti-Temkin theory of steady-state reactions 21 1.1.1 Reaction mechanism: Stoichiometry and routes 22 1.1.2 Kinetics: Reaction rates with respect to substances and over routes 32 1.1.3 Kinetic polynomial 42 1.1.4 Determining the number of independent parameters in a kinetic model. The problem of identifiability of parameters 44 1.2 Quasi-steady-state and quasi-equilibrium approximations in chemical kinetics 47 1.2.1 Theoretical criteria of quasi-steady-state intermediate concentrations and quasi-equilibrium steps 49 1.2.2 Experimental criteria of applicability of quasi-steady-state approximation in various systems 60 1.3 Methods of graph theory in chemical kinetics and in theory of complex reaction mechanisms 62 1.3.1 Linear mechanisms 62 1.3.2 Nonlinear mechanisms 71 1.3.3 Other fields of application of kinetic and bipartite graphs in chemical kinetics and in theory of complex reaction mechanisms 76 1.4 Elementary steps - Selection rules 79 1.4.1 Main postulates, laws, and principles 79 1.4.2 Energy selection rules for elementary steps 88 1.4.3 Quantum-chemical selection rules for elementary steps 92 1.4.4 Topological selection rules for elementary steps 108 References 113 2 Complexity Functions of Catalysts and Reactants in Reactions Involving Metal Complexes 121 2.1 Mononuclear metal complexes 122 2.1.1 Complexity functions: variants I and II 134 2.1.2 Complexity functions: variants III and IV 149 2.1.3 General problems and recommendations 165 2.2 Polynuclear complexes in homogeneous catalytic and noncatalytic reactions...
