05186nam 2200625Ia 450 991014269200332120170810184033.01-280-52004-397866105200463-527-60487-13-527-60513-4(CKB)1000000000328791(EBL)482050(OCoLC)85820616(SSID)ssj0000200151(PQKBManifestationID)11171814(PQKBTitleCode)TC0000200151(PQKBWorkID)10196861(PQKB)11183873(MiAaPQ)EBC482050(EXLCZ)99100000000032879120050516d2005 uy 0engur|n|---|||||txtccrMechanisms in homogeneous catalysis[electronic resource] a spectroscopic approach /edited by Brian HeatonWeinheim Wiley-VCHc20051 online resource (406 p.)Description based upon print version of record.3-527-31025-8 Includes bibliographical references and index.Mechanisms in Homogeneous Catalysis; Preface; Contents; List of Contributors; 1 NMR Spectroscopy and Homogeneous Catalysis; 1.1 Introduction; 1.2 Reaction Mechanisms via Reaction Monitoring; 1.2.1 Detecting Intermediates; 1.2.2 Reaction Kinetics via NMR; 1.3 Structural Tools; 1.3.1 Chemical Shifts; 1.3.2 Coupling Constants; 1.3.3 NOE Spectroscopy and 3-D Structure; 1.4 Isotopes in Catalysis; 1.4.1 Kinetic Isotope Effect (KIE); 1.4.2 Structural Effects; 1.4.3 An Active Site Counting Method; 1.5 Dynamic NMR Spectroscopy; 1.5.1 Variable Temperature Studies; 1.5.2 Line Shape Analysis1.5.3 Magnetization Transfer1.5.4 NOESY/EXSY/Hidden Signals; 1.6 Special Topics; 1.6.1 T(1) and Molecular H(2) Complexes; 1.6.2 Parahydrogen Induced Polarization (PHIP); 1.6.2.1 Hydrogenation Mechanism Studies; 1.6.2.2 Parahydrogen as a Magnetic Probe; 1.6.3 High Pressure NMR; 1.6.3.1 Introduction; 1.6.3.2 Applications; 1.6.4 Diffusion and Pulsed Gradient Spin Echo Measurements; References; 2 High Pressure NMR Cells; 2.1 Introduction; 2.2 High Pressure NMR of Liquids; 2.2.1 High Pressure, High Resolution Probes; 2.2.2 Glass and Quartz Capillaries; 2.3 High Pressure NMR of Supercritical Fluids2.3.1 High Pressure, High Temperature NMR Probes2.3.2 Toroid Probes for High Pressure NMR; 2.4 High Pressure NMR of Gases Dissolved in Liquids; 2.4.1 Sapphire Tubes; 2.4.2 High Pressure Probes for Pressurized Gases; 2.5 Conclusions, Perspectives; Acknowledgments; References; 3 The Use of High Pressure Infrared Spectroscopy to Study Catalytic Mechanisms; 3.1 Introduction; 3.2 Cell Design; 3.2.1 Transmission Cells; 3.2.1.1 Amsterdam Flow Cell; 3.2.1.2 Low-temperature HP IR Cells; 3.2.1.3 HP IR Cells for Flash Photolysis; 3.2.2 Reflectance Cells3.3 Mechanistic Studies using High Pressure IR Spectroscopy3.3.1 In situ Studies under Catalytic Conditions; 3.3.1.1 Methanol Carbonylation; 3.3.1.2 Hydroformylation; 3.3.1.3 Other Reactions of Carbon Monoxide; 3.3.2 Kinetic and Mechanistic Studies of Stoichiometric Reaction Steps; 3.3.2.1 Migratory CO Insertion Reactions of Metal Alkyls; 3.3.2.2 Substitution and Exchange Reactions of CO Ligands; 3.3.2.3 Exchange between Rh-D and H(2); 3.3.2.4 Hydrogenolysis of M-C Bonds; 3.3.2.5 Mechanistic Studies in Polymer Matrices; 3.3.2.6 Noble Gas and H(2) Complexes3.3.2.7 Alkane Complexes and C-H Activation Reactions3.4 Conclusions; References; 4 Processing Spectroscopic Data; 4.1 Introduction; 4.2 The Catalytic System; 4.2.1 Recycle CSTR with Analytics; 4.2.2 Physical System; 4.2.3 Chemical Description; 4.3 Experimental Design; 4.3.1 Transport Time-scales; 4.3.2 Reaction Time-scales; 4.3.2.1 Spectroscopic Measurements; 4.3.2.2 Time-scales for Spectroscopic Measurements; 4.3.3 The Meaning of "In Situ" Studies; 4.3.4 The Planning of Experiments; 4.3.4.1 Batch and Semi-batch; 4.3.4.2 Choice of Spectrometers; 4.3.4.3 Groups of Experiments4.3.4.4 Range of ExperimentsWhile chemists using spectroscopic methods need to learn from the specialists, they do not normally read the spectroscopists' original papers. This book provides this very information -- summarizing some recent advances in the mechanistic understanding of metallocene polymerization catalysts and the role of NMR spectroscopy in these endeavors.Adopting a real practice-oriented approach, the authors focus on two of the most important spectroscopic techniques with two parts devoted to each of NMR and IR spectroscopy - as well as on important industrial applications with regard to the reactionCatalysisActivation (Chemistry)Electronic books.Catalysis.Activation (Chemistry)543.5660.2995Heaton BrianDr.875514MiAaPQMiAaPQMiAaPQBOOK9910142692003321Mechanisms in homogeneous catalysis1954826UNINA