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连想就此做个示范和讨论 (1)这样有利于保护资源，而且下载这个文本文件估计您花不了多少钱... (2)这样科技加上适当的金币限制，避免资源的滥用... (3)从论坛的长远建设角度考虑：本贴仅供学习交流使用，请勿散发，呵呵... 虫友可以讨论讨论，我这个只是示范，别骂我小气... 用户名：berlincat 密码：123321 请大家切勿修改密码，拜托... 深夜上传,目录制作的匆忙,各位兄弟见谅 ★★★★★★★★★★★★★★★★★★★★★★ Advances in Catalysis Volume 50(2006) http://berlincat.gbaopan.com/files/1b192a2ed5c343538e8f343308614973.gbp Advances in Catalysis Volume 49(2006) http://berlincat.gbaopan.com/files/409cb3386b3d4020be898a9b7e4b0a11.gbp Advances in Catalysis Volume 48(2004) http://berlincat.gbaopan.com/files/5cbe339f65c34ebfa1ff7326831dd933.gbp Advances in Catalysis Volume 47(2002).part1.rar http://berlincat.gbaopan.com/files/250be74324b4478791c26a24f94191fc.gbp Advances in Catalysis Volume 47(2002).part2.rar http://berlincat.gbaopan.com/files/1c7e420d685a415d9dc2c0c94dad37f3.gbp Advances in Catalysis Volume 47(2002).part3.rar http://berlincat.gbaopan.com/files/565a9671f09142cba6d64923cb437215.gbp Advances in Catalysis Volume 47(2002).part4.rar http://berlincat.gbaopan.com/files/a69fa646ecd4439099c514a5000bb650.gbp Advances in Catalysis Volume 47(2002).part5.rar http://berlincat.gbaopan.com/files/de82a62c482a4e0b8f788745d3070489.gbp Advances in Catalysis Volume 46(2001) http://berlincat.gbaopan.com/files/165d421ecbcf471faa8fdcf38293ffa4.gbp Advances in Catalysis Volume 45(2000).part01.rar http://berlincat.gbaopan.com/files/18959b12bafc4fbba68002b3bd4b0e95.gbp Advances in Catalysis Volume 45(2000).part02.rar http://berlincat.gbaopan.com/files/73549609b1aa45dc894a5aff479c8db4.gbp Advances in Catalysis Volume 45(2000).part03.rar http://berlincat.gbaopan.com/files/cd5f2fdd9bf94d0c848c26055892139a.gbp Advances in Catalysis Volume 45(2000).part04.rar http://berlincat.gbaopan.com/files/8d60e6c168214598ab5e73358a856f16.gbp Advances in Catalysis Volume 45(2000).part05.rar http://berlincat.gbaopan.com/files/86cde818d2294b17a434adbbb1aa0f86.gbp Advances in Catalysis Volume 45(2000).part06.rar http://berlincat.gbaopan.com/files/a7a9e2108beb4ef48ce9140702753231.gbp Advances in Catalysis Volume 45(2000).part07.rar http://berlincat.gbaopan.com/files/d3a75eddda51412a8279d08357ad3a3c.gbp Advances in Catalysis Volume 45(2000).part08.rar http://berlincat.gbaopan.com/files/32c6f2380cf947aabcc47df164b420f5.gbp Advances in Catalysis Volume 45(2000).part09.rar http://berlincat.gbaopan.com/files/47b27e54fab14e17a1dd50af42589e60.gbp Advances in Catalysis Copyright © 2007 Elsevier Inc. All rights reserved Shortcut URL to this page: http://www.sciencedirect.com/science/bookseries/03600564 ★★★★★★★★★★★★★★★★★★★★★★ Volume 50, Pages 1-291 (2006) Edited by: Bruce C. Gates and Helmut Kn& ISBN: 978-0-12-007850-9 1. Contributors • INDEX Page xi 2. Preface • EDITORIAL Pages xiii-xiv Abstract 3. Magnetic Resonance Imaging of Catalysts and Catalytic Processes • REVIEW ARTICLE Pages 1-75 L.F. Gladden, M.D. Mantle and A.J. Sederman Abstract Magnetic resonance (MR), in the form of solid-state nuclear magnetic resonance (NMR) spectroscopy, is well established as a research tool for investigations of the structures of solid catalysts and molecular species adsorbed on them. However, during the past decade there has been increasing interest in using magnetic resonance imaging (MRI) techniques to study, in particular, flow fields inside reactors. These studies have recently been extended to measurements of chemical conversion within model reactor systems. The real power of MR techniques is that by bringing together spectroscopy, diffusion, micro-imaging, and flow imaging, they provide a non-invasive, chemically specific measurement technique which can characterize a system over length scales ranging from the angstrom- to the centimeter scale. In this review, recent developments in MRI pulse sequences are summarized and applications to investigations of both hydrodynamics and catalytic conversion within catalysts and catalytic reactors are presented. 4. Atomic-Scale Imaging of Supported Metal Nanocluster Catalysts in the Working State • REVIEW ARTICLE Pages 77-95 P.L. Hansen, S. Helveg and A.K. Datye Abstract Recent developments in high-resolution transmission electron microscopy (HRTEM) provide new possibilities for imaging—with atomic resolution—transition metal catalysts during exposure to reactive gases at elevated temperatures. The capability provides unprecedented insight into the structure, morphology, and dynamics of complex supported metal nanocluster catalysts with various surfaces and interfaces, even as they are functioning. Here we review recent work that exploits this capability of HRTEM to elucidate the nature of the exposed surfaces in such catalysts. The observations provide information about the exposed metal–surface sites, metal–support interface, and surface dynamic processes induced by changes in the gas environment. Examples include the location of a barium promoter in a ruthenium catalyst for the ammonia synthesis catalyst, gas-induced shape changes in supported copper nanocrystals for the methanol synthesis, and carbon nanofiber formation in steam reforming catalysts. 5. Model Catalyst Surfaces Investigated by Scanning Tunneling Microscopy • REVIEW ARTICLE Pages 97-147 J.V. Lauritsen and F. Besenbacher Abstract Scanning tunneling microscopy (STM) has become established as a versatile technique for direct, real-space investigations and characterization of matter at the atomic level. Recent progress in STM studies of model systems relevant to heterogeneous catalysis has shown that it is possible to resolve fundamental issues related to catalytic processes by atomic-scale imaging of catalytically active surfaces and nanostructures. In this chapter, we briefly introduce the basics of the STM technique and the framework needed to understand the electronic and geometrical information contained in STM images. We highlight recent developments of the STM technique that will help further the elucidation of understanding of catalysts in the working state, and illustrate how the level of insight gained from characterizing model systems has advanced to a stage where the insight and ideas may lead to the design of new and improved high-surface-area catalysts. 6. Characterization of Solid Catalysts in the Functioning State by Nuclear Magnetic Resonance Spectroscopy • REVIEW ARTICLE Pages 149-225 M. Hunger and W. Wang Abstract This chapter is a review of techniques and applications of solid-state nuclear magnetic resonance (NMR) spectroscopy for investigations of solid catalysts, with a strong emphasis on investigations of catalysts in the functioning state. The techniques allow investigations of both the chemical reactions as well as changes in the catalysts taking place inside the NMR spectrometer. The experimental techniques are suitable for magic-angle spinning (MAS) NMR spectroscopy under batch reaction conditions, for example, with a sample of catalyst powder in a sealed glass ampoule or a gas-tight MAS NMR rotor, or under flow conditions, for example, with the catalyst particles in an MAS NMR rotor reactor. The former technique has the advantage of low cost and commercially accessible equipment, and the latter technique allows measurements under conditions close to those of industrial processes. Representative applications described in this review include investigations of the fate of isotopic labels allowing the indirect characterization of the nature of transition states and reaction pathways by isotope scrambling and the determination of activation energies of the reactions in the pathways. Other examples include investigations of organic deposits, surface complexes, and reaction intermediates formed in the pores of zeolite catalysts under continuous- and stopped-flow reaction conditions. Further applications include investigations of changes in the local structure of framework atoms and surface sites in microporous catalysts resulting from adsorption and desorption of probe molecules and reactants. 7. Attenuated Total Reflection Infrared Spectroscopy of Solid Catalysts Functioning in the Presence of Liquid-Phase Reactants • REVIEW ARTICLE Pages 227-283 Thomas Bürgi and Alfons Baiker Abstract Attenuated total reflection (ATR) infrared (IR) spectroscopy is a powerful tool for investigation of solid catalysts, allowing the detection of liquid-phase products (for on-line reaction monitoring) and the investigation of species adsorbed on the catalyst, during reaction and in the presence of strongly absorbing solvents. Flat model catalysts such as metal films as well as powder catalysts can be investigated. In favorable situations, even changes of the catalyst structure can be followed. In this review, some fundamental concepts of ATR spectroscopy are summarized, and practical aspects, such as cell design and sample preparation, are discussed. The potential and limitations of the method are illustrated with examples. Furthermore, powerful techniques aimed at enhancing signal-to-noise ratios and long-term stability are described, which make use of phase-sensitive detection of periodically varying signals and accurate reference measurements. Until now, only a rather limited number of investigations have been reported that use the ATR technique to study heterogeneous catalytic reactions at solid–liquid interfaces, but the method holds good promise because it is comparatively inexpensive and versatile and can provide a large amount of information. 8. Index • INDEX Pages 285-291 ★★★★★★★★★★★★★★★★★★★★★★ Volume 49, Pages 1-309 (2006) Edited by: Bruce C. Gates and Helmut Kn& ISBN: 978-0-12-007849-3 1. Contents • CONTENTS LIST Pages v-ix 2. Contributors • INDEX Page xi 3. Preface • EDITORIAL Pages xiii-xv B.C. Gates and H. Knözinger Abstract 4. Directed Evolution of Enantioselective Enzymes as Catalysts for Organic Synthesis • REVIEW ARTICLE Pages 1-69 M.T. Reetz Abstract This review constitutes a comprehensive and critical account of a fundamentally new approach to asymmetric catalysis, namely, the exploitation of the methods of directed evolution in the creation of enantioselective enzymes as biocatalysts in organic chemistry. The basis of the concept is the effective combination of molecular biological methods of gene mutagenesis and expression followed by high-throughput screening for assessing the enantioselectivity of thousands of samples. Following a brief introduction outlining the challenges in putting this new approach into practice, the molecular biological gene mutagenesis methods are introduced in language that chemists can understand, followed by a description of high-throughput assays for enantioselectivity. Examples illustrating the concept are then presented, beginning with a detailed account of lipases followed by other hydrolases, aminotransferases, aldolases, and oxidases. The review ends with conclusions and perspectives. 5. Dendrimers in Catalysis • REVIEW ARTICLE Pages 71-151 Joost N.H. Reek, Silvia Arévalo, Rieko van Heerbeek, Paul C.J. Kamer and Piet W.N.M. van Leeuwen Abstract Dendrimers are well-defined hyperbranched macromolecules, with the larger ones having characteristic globular structures. These novel materials have been investigated intensively in recent decades, and among other potential applications, they are suitable as soluble supports for homogeneous transition metal complex catalysts. These catalysts offer the advantage of easy separation from products and recycling as well as the potential advantages of unique catalytic properties, including high activity, selectivity, and stability. In this chapter, the current state of research in dendrimer catalysis is reviewed, with emphasis on the importance of the location of the catalyst in the dendritic framework (e.g., at the core or at the periphery). Several approaches to the separation of dendrimer catalysts are evaluated, and unique dendritic effects in catalysis are discussed. 6. Catalysis in Ionic Liquids • REVIEW ARTICLE Pages 153-237 Z. Conrad Zhang Abstract Ionic liquids, salts with melting points less than about 100°C, present a wide range of properties for applications as catalysts, and there has been a spate of research recently concerned with catalytic applications of low-temperature ionic liquids. These typically consist of an organic cationic component with one or multiple heteroatoms, such as N, P, or S, and an inorganic or organic anion. The inertness of many ionic liquids toward most known catalysts makes them superior to water as solvents for catalysts, and from an environmental point of view, their low vapor pressures make them attractive as replacements for organic solvents. Other unique properties of ionic liquids, including the high thermal stability, broad ranges of temperatures over which they are liquids, the tunablity of their acidities, and their excellent retention of polar or charged catalysts make them appealing media for a broad range of catalytic applications. Reusable catalyst–ionic liquid systems make possible facile catalyst–product separation, providing economic incentives for the development of such systems for new processes and as replacements for the existing ones. 7. Optimization of Alkaline Earth Metal Oxide and Hydroxide Catalysts for Base-Catalyzed Reactions • REVIEW ARTICLE Pages 239-302 A. Corma and S. Iborra Abstract This review is a summary of the work done and potential opportunities for inexpensive and easily accessible base catalysts, such as alkaline earth metal oxides and hydroxides, as well as alkali metals and oxides supported on alkaline earth metal oxides. Preparation methods of these materials, as well as characterization of basic sites are reported. An extensive review of their catalytic applications for a variety of organic transformations including isomerization, carbon–carbon and carbon–oxygen bond formation, and hydrogen transfer reactions is presented. 8. Index • INDEX Pages 303-309 ★★★★★★★★★★★★★★★★★★★★★★ Volume 48, Pages 1-360 (2004) Edited by: Bruce C. Gates, and Helmut Knoezinger ISBN: 978-0-12-007848-6 1. Contents • MISCELLANEOUS Pages v-xi 2. Contributors • MISCELLANEOUS Page xiii 3. Preface • EDITORIAL Pages xv-xvii Abstract 4. Active Sites and Reactive Intermediates in Titanium Silicate Molecular Sieves • REVIEW ARTICLE Pages 1-169 P. Ratnasamy, D. Srinivas and H. Knözinger Abstract This review is a summary and critical analysis of recent advances in the understanding of (a) the nature and coordination state of Ti ions and other functional groups (such as OH) on dehydrated titanium silicate molecular sieves, (b) the type and structure of the oxo intermediates generated by the interaction of these active sites with oxidant/reactant molecules during catalytic reactions, and (c) the factors that influence the reactivity and selectivity of these active sites and reaction intermediates. In the dehydrated state, most of the Ti4+ ions have the tetrapodal (Ti(OSi)4) or the tripodal (Ti(OSi)3OH) structure. On contact with H2O2, titanium oxo species, Ti(O2H) and Ti(O2√−  , respectively, are formed. On reaction with organic reactants, O–O bond cleavage in these titanium oxo species occurs in a hetero- or homolytic manner. Product selectivity is determined by the relative importance of these two modes of O–O cleavage. Factors such as the coordinative environment of titanium, substituents on the O–O bond (H or alkyl), temperature, solvent, nature of the organic reactant, etc. influence the mode of O–O cleavage. Correlations between the structure and catalytic activity of titanium sites and oxo-titanium intermediates are also described.5. Electron Microscopy and the Materials Chemistry of Solid Catalysts • REVIEW ARTICLE Pages 171-227 John Meurig Thomas and Pratibha L. Gai Abstract No other method rivals electron microscopy (EM) in the wealth of structural (atomic, nanoscopic, microscopic, and mesoscopic), topographic, and electronic information that it provides in the characterization of solid catalysts such as those used commercially, for laboratory trials or model studies: EM provides deep insights into the structure of solid catalysts—their precursors, active sites, and expired or regenerated forms—as well as vital clues to their mode of operation. In some important instances it serves as the only trustworthy means of determining the structure and composition of a catalyst. After a brief update on the significance of recent advances in EM techniques which allow (i) the probing of catalysts at atomic resolution, (ii) electron crystallography, and (iii) the determination of the chemical compositions of catalysts, we illustrate these achievements with specific examples. These include (a) pin-pointing the location and topography of nanoparticle catalysts; (b) constructing elemental maps (and compositional distributions) of solid catalysts; (c) in situ investigations of active sites and reaction processes at the atomic level; (d) elucidating the nature of intergrowths (coherent, recurrent, and random) of closely similar structures within a supposed new catalyst; (e) identifying atoms (or small groups of atoms) of high atomic number supported on high-area solids; and (f) characterizing nanoparticles on uneven supports. In (a) and (e) the recently developed technique of electron tomography plays a crucial role. 6. Chemistry and Technology of Isobutane/Alkene Alkylation Catalyzed by Liquid and Solid Acids • REVIEW ARTICLE Pages 229-295 Andreas Feller and Johannes A. Lercher Abstract This contribution is an in-depth review of chemical and technological aspects of the alkylation of isobutane with light alkenes, focused on the mechanisms operative with both liquid and solid acid catalysts. The differences in importance of the individual mechanistic steps are discussed in terms of the physical–chemical properties of specific catalysts. The impact of important process parameters on alkylation performance is deduced from the mechanism. The established industrial processes based on the application of liquid acids and recent process developments involving solid acid catalysts are described briefly. 7. Catalytic Conversion of Methane to Synthesis Gas by Partial Oxidation and CO2 Reforming • REVIEW ARTICLE Pages 297-345 Yun Hang Hu and Eli Ruckenstein Abstract The preparation of synthesis gas from natural gas, which is the most important step in the gas-to-liquid transformation, has attracted increasing attention in the last decade. Steam reforming, partial oxidation, and CO2 reforming are the three major processes that can be employed to prepare synthesis gas. Because steam reforming was reviewed recently in this series [Adv. Catal. 47 (2002) 65], this chapter deals only with the latter two processes. The history of the development of methane conversion to synthesis gas is summarized as an introduction to the partial oxidation of methane, which is reviewed with emphasis on hot spots in reactors, major developments in the reduction of O2 separation costs, and reaction mechanisms. The various catalysts employed in CO2 reforming are examined, with emphasis on inhibition of carbon deposition. 8. Index • MISCELLANEOUS Pages 347-360 ★★★★★★★★★★★★★★★★★★★★★★ Volume 47, Pages 1-525 (2002) ISBN: 978-0-12-007847-9 1. Editorial Board • MISCELLANEOUS Pages ii-iii 2. Contributors • MISCELLANEOUS Page xi 3. Preface • EDITORIAL Pages xiii-xiv H. Knözinger and B. C. Gates Abstract 4. W. Keith Hall 1918–2001 • PERSONAL REPORT Pages xv-xvii W. C. Conner, J. W. Hightower and W. B. Millman Abstract 5. George C.A. Schuit 1910–2001 • PERSONAL REPORT Pages xix-xxi V. H. J. de Beer, Bruce C. Gates, Jan H. C. van Hoof, James R. Katzer and J. W. Niemantsverdriet Abstract 6. Hydroformylation of alkenes: An industrial view of the status and importance • ARTICLE Pages 1-64 Hans-Willi Bohnen and Boy Cornils Abstract The hydroformylation (or “oxo”) reaction is one of the important reactions for the manufacture of building blocks for the chemical industry. This reaction is among the most thoroughly investigated homogeneously catalyzed processes and has been characterized by a steady improvement in its scientific understanding, efficiency, and economics. This exciting field is outlined from an industry viewpoint. 7. Hydrogen and synthesis gas by steam- and C02 reforming • ARTICLE Pages 65-139 Jens R. Rostrup-Nielsen, Jens Sehested and Jens K. Nørskov Abstract Steam reforming reactions will play a key role in new applications of synthesis gas and in a future hydrogen economy. The aim of this review is to provide a coherent description of the catalysis of the reforming reactions. The review is not comprehensive. The first section deals with the applications of synthesis gas and hydrogen and the various synthesis gas technologies. The optimum choice of technology depends on the requirements of the gas composition and the scale of operation. Two examples are included for illustration: synthesis gas for gas-to-liquid plants and hydrogen for fuel cells. The steam reforming process is described in the second section with emphasis on the role of the catalyst and problems related to carbon formation. The third section is a summary of the empirical evidence of the catalysis of the reforming reactions. The methods of characterization are discussed, and data representing sintering, activity trends, and promotion are summarized. The fourth section is a description of the mechanism based on a combination of empirical knowledge with recent data from studies of well-defined surfaces, in-situ high-resolution electron microscopy, and calculations based on density functional theory. The central concept is the role of surface defects as the source of reactivity and the nucleation centers for whisker carbon formation. 8. Oxide solid solutions as catalysts • ARTICLE Pages 141-306 Alessandro Cimino and Frank S. Stone Abstract This review traces the development of oxide solid solutions as catalysts from their first use in the 1960s to their current application in basic and applied research. Oxide solid solutions provide the means to control the properties of catalytically active ions in defined surface environments. When applied to transition metal (TM) ions, interaction with neighbors can be suppressed or progressively developed, depending on the concentration chosen for the active solute and the structure of the insulating matrix selected as solvent oxide. Simple examples are nickel, cobalt and chromium ions in MgO and MgAl2O4. The successful preparation of solid solutions demands a knowledge of the reactivity of solids and the behavior of crystal defects. This is exemplified in the methods described for preparing solid solutions of low and high specific surface area, respectively. Characterization receives detailed attention and the methods specific to oxide solid solutions are illustrated. Emphasis is placed on quantitative determination of surface composition for which X-ray photo-electron spectroscopy is the most widely applicable technique. The acidity and basicity of oxide solid solution surfaces is linked with coordinative unsaturation and this aspect of characterization involves adsorption calorimetry and infra-red spectroscopy. The account of oxide solid solutions as catalysts is divided into two parts. The first comprises studies where solid solutions have been used as model catalysts to identify and compare the catalytic properties of individual TM ions. For this purpose the catalysis of N20 decomposition, CO oxidation and H2---D2 equilibration have long served as prototypical test reactions. These simple reactions enable issues such as the distinctive behavior of isolated ions, pairs and chains to be addressed and matrix effects to be explored. The motivation here is detailed understanding of catalysis on highly characterized microcrystalline oxides. The second catalytic part is broader in scope and focuses to a greater extent on the application of oxide solid solutions as catalysts for reactions of industrial interest. Combustion of hydrocarbons is a high-temperature reaction for which perovskite-structured solid solution catalysts are especially attractive since they accommodate a wide range of TM and main group ions in solid solution. A second sector covered is selective oxidation of hydrocarbons. Oxide solid solutions containing TM ions made an early entry as catalysts for alkene conversion and remained when interest switched to alkanes. The solid solution approach featured strongly in the search for methane coupling catalysts and currently contributes in a new guise in titanium silicalite. The acidity developed at solute sites is the source of activity for carbenium ion catalysis. SAPOs and McAPOs fall within the solid solution domain as covalently-bonded counterparts of ionic solid solutions. Finally, reduced solid solutions with phase-separated transition metal clusters are effective catalysts for reforming of alkanes. 9. Characterization of oxide surfaces and zeolites by carbon monoxide as an IR probe molecule • ARTICLE Pages 307-511 Konstantin I. Hadjiivanov and Georgi N. Vayssilov Abstract The review is a summary and analysis of the data characterizing CO adsorption on surface cationic sites of oxides including supported materials and microporous and mesoporous materials. The contributions of various types of CO bonding to the IR frequency shifts of carbon-bonded molecules are analyzed, namely, the increase of the CO stretching frequency in cases of electrostatic and σ bonding and the decrease of the frequency with π bonding. Polycarbonyls, bridging CO, oxygen-bonded CO, and tilted CO are also considered. The main part of the review is a collection of the experimental results characterizing carbonyls of individual metal ions. The spectral behavior of CO bonded to metal atoms is also assessed in the cases when the metal ions are easily reduced to metal (Cu, Ag, Au, Pd, or Pt) or cationic carbonyls are produced after CO adsorption on supported metals (Ru, Rh, Ir, and Os). The interaction of CO with surface OH groups is also considered. It is demonstrated that IR spectroscopy of adsorbed CO is an efficient methodology to characterize cationic surface sites in terms of their nature, oxidation states, coordination environment and coordinative unsaturation, and location at faces, edges or corners of microcrystallites. When applied to materials with surface hydroxyl groups CO undergoes hydrogen bonding and information can be collected on the proton acid strength. 10. Index • MISCELLANEOUS Pages 513-525 ★★★★★★★★★★★★★★★★★★★★★★ Volume 46, Pages 1-476 (2001) ISBN: 978-0-12-007846-2 1. Editorial Board • MISCELLANEOUS Page ii 2. Contributors • MISCELLANEOUS Page ix 3. Preface • EDITORIAL Pages xi-xii H. Knozinger and B. C. Gates Abstract 4. Immobilization of homogeneous oxidation catalysts • ARTICLE Pages 1-87 Dirk E. de Vos, Bert F. Sels and Pierre A. Jacobs Abstract Homogeneous oxidation catalysts would find more widespread technological application if suitably anchored versions were available. This article discusses the anchoring strategies that have been used for 16 elements. Each element and each type of redox catalysis require a specific approach. Typical supports are oxides such as silica and alumina, zeolites, organic polymers, and activated carbon. The retention of the active metal compound within the catalyst may be based on physisorption, on the formation of covalent bonds between the metal ligand and the support, on ion exchange, or on physical entrapment. Particular attention is devoted to stability tests, which show whether catalytically active metal species are leached from the support. Many metals have the lowest affinity for a support when they are in their most oxidized or most peroxidized state. Therefore, leaching must always be investigated in the presence of the oxidant. It appears that simple adsorption of Mo, V, or Won silica or alumina, for example, does not result in heterogeneous catalysis, whereas ion exchange and covalent methods are often more reliable. In designing a catalyst immobilization method, it is preferable to know all states of the metal during the catalytic cycle; the support should have considerable affinity for all these states. The stability of a catalyst can be promoted by the presence of base, as in the case of metal ion exchanged zeolites, and by appropriate solvent choice. On the other hand, strong or chelating acids tend to cause leaching. Immobilization of a homogeneous oxidation catalyst often greatly enhances its lifetime because of the suppression of bimolecular deactivation. Moreover, unprecedented activities and selectivities may be observed, surpassing the performances of the corresponding homogeneous catalysts. 5. Olefin polymerization catalyzed by metallocenes • ARTICLE Pages 89-159 Walter Kaminsky Abstract Metallocene-catalyzed polymerization of olefins and diolefins, including styrene and selected polar vinyl monomers, is an important new technology that in recent years has started to make significant inroads into the polyolefin marketplace. Metallocenes have broadened our knowledge of the mechanistic understanding of ZieglerNatta catalysis, stereospecific polymerization, and termination reactions. In contrast to classic ZieglerNatta catalysis, the polymerization takes place at a defined transition metal center, which allows precise control of the monomer insertion and other reaction steps. Many titanocenes, zirconocenes, and hafnocenes with various symmetries have been synthesized and found to give tailored polymers of totally different structures. Methylalumoxane or other bulky cocatalysts are the main causes for the high activities of the metallocene catalysts. Single-site catalysts have the capability of permitting the user to control polymer tacticity, molecular weight, and molecular weight distribution more efficiently than in the 6. Kinetics of heterogeneous catalytic reactions: Analysis of reaction schemes • ARTICLE Pages 161-264 R. D. Cortright and J. A. Dumesic Abstract A wide variety of techniques are usually employed in investigations of heterogeneous catalysis. These investigations typically involve one or more of the following experimental approaches: (i) synthesis and testing of catalytic materials, (ii) characterization of bulk and surface properties, (iii) evaluation of surface adsorptive properties and chemical reactivity, and (iv) assessment of catalyst performance. The recent advances in quantum chemical techniques, combined with improved computer performance, make it possible to conduct quantum chemical calculations to represent more realistic models of active sites and more complex reaction schemes. Since these experimental and theoretical investigations are conducted under different conditions and on a variety of related materials, it is useful to conduct analyses of appropriate reaction schemes to consolidate the results. An important consequence of conducting reaction kinetics analysis in conjunction with results from quantum chemical calculations and experimental studies is that quantitative knowledge about the catalytic process is built at the molecular level into the kinetic model. This process of extracting fundamental knowledge provides a molecular-level basis for comparisons between catalyst systems and provides unifying principles for the design of new catalyst systems. This review provides an introduction to methods for analyses of reaction schemes that describes the results from both experimental and theoretical investigations. Several case studies are provided to illustrate different analysis methods. 7. Surface structures of oxides and halides and their relationships to catalytic properties • ARTICLE Pages 265-397 A. Zecchina, D. Scarano, S. Bordiga, G. Spoto and C. Lamberti Abstract In this review, the relationships between structure, morphology, and surface reac-tivity of microcrystals of oxides and halides are assessed. The investigated systems we discuss include alkali halides, alkaline earth oxides, NiO, CoO, NiO---MgO, CoO---MgO solid solutions, ZnO, spinels, cuprous oxide, chromia, ferric oxide, alumina, lanthana, perovskites, anatase, rutile, and chromia/silica. A combination of high-resolution transmission electron microscopy with vibrational spectroscopy of adsorbed probes and of reaction intermediates and calorimetric methods was used to characterize the surface properties. A few examples of reactions catalyzed by oxides are also reported. 8. Catalytic hydrodenitrogenation • ARTICLE Pages 399-464 R. Prins Abstract The literature of the catalytic hydrodenitrogenation of nitrogen-containing compounds present in oil fractions is reviewed. Hydrodesulfurization is also discussed, but only insofar as it is relevant to hydrodenitrogenation. The emphasis is on the mechanisms of hydrodenitrogenation and how nitrogen can be removed from specific molecules. Two types of catalysts are discussed extensively, the classic metal sulfides (Co---Mo, Ni---Mo, Co---W, and Ni---W) and the recently introduced metal carbides and nitrides. Information about catalyst synthesis and structure is reviewed with the aim of improving the understanding of the catalytic mechanisms. Methods for improving the activity of metal sulfide catalysts by the addition of phosphate and fluorine additives, by supports other than alumina, and by means of metal sulfides other than the classic bimetallic ones are discussed as well. 9. Index • MISCELLANEOUS Pages 465-476 ★★★★★★★★★★★★★★★★★★★★★★ Volume 45, Pages 1-448 (2000) Impact of Surface Science on Catalysis Edited by: Bruce C. Gates and Helmut Knozinger ISBN: 978-0-12-007845-5 1. Contributors • MISCELLANEOUS Page ix 2. Preface • EDITORIAL Pages xi-xii B. C. Gates and H. Knözinger Abstract 3. Dynamics of reactions at surfaces • ARTICLE Pages 1-69 Gerhard Ertl Abstract The rate of a catalytic reaction is determined by the dynamics of the individual steps involved, which may be classified according to a rough hierarchy: The quantum level concerns the energy exchange between the different degrees of freedom. If these are in thermal equilibrium at all stages, the concepts of transition state theory may be applied to formulate the rates of the elementary processes constituting the reaction mechanism. Combination of these steps eventually enables rationalization of the macroscopic kinetics. The contributions of surface science to the current knowledge of the various levels of these complex phenomena are illustrated by selected examples. 4. Theoretical surface science and catalysis—calculations and concepts • ARTICLE Pages 71-129 B. Hammer and J. K. Nørskov Abstract The application of density functional theory to calculate adsorption properties, reaction pathways, and activation energies for surface chemical reactions is reviewed. Particular emphasis is placed on developing concepts that can be used to understand and predict variations in reactivity from one transition metal to the next or the effects of alloying, surface structure, and adsorbate-adsorbate interactions on the reactivity. Most examples discussed are concerned with the catalytic properties of transition metal surfaces, but it is shown that the calculational approach and the concepts developed to understand trends in reactivity for metals can also be used for sulfide and oxide catalysts. 5. Scanning tunneling microscopy studies of catalytic reactions • ARTICLE Pages 131-206 Joost Wintterlin Abstract In the past 10 years, scanning tunneling microscopy (STM) has developed into a technique that can monitor catalytic surface reactions with atomic resolution. This review summarizes this work, most of which was performed with single-crystal metal surfaces under ultrahigh vacuum conditions. Emphasis is placed on the mechanisms of the processes underlying catalytic reactions. The instrumental developments that made such studies possible are addressed, as are the possibilities for chemical identification of the adsorbate features in the STM topographs. STM investigations have revealed information about each of the elementary processes involved in heterogeneous catalytic reactions. The primary adsorption and dissociation steps and surface diffusion of adsorbed particles are discussed briefly. The main part of the article concerns individual surface reactions. In almost all cases, qualitative—and even the first quantitative— deviations from standard Langmuir descriptions of surface reactions have been observed, with pronounced local effects on the reactivities. 6. Adsorption energetics and bonding from femtomole calorimetry and from first principles theory • ARTICLE Pages 207-259 Qingfeng Ge, Rickmer Kose and David A. King Abstract The advent of an accurate, sensitive single-crystal adsorption calorimeter (SCAC) in 1991 meant that, for the first time, a general tool was available for determining the energetics of surface processes, both reversible and irreversible, under well-defined conditions. This is particularly valuable when the structure of the final state of the system, adsorbate and substrate, is well-characterized. Concurrently, first principles density functional theory (DFT) slab calculations were developed, particularly during the past six years, to the point where good comparisons can now be made with experimental results from the most reliable surface structure analyses. Results from the SCAC provide the most stringent benchmark currently available for these calculations: the total energy. Here, we provide a review of the current state of the art in both experimental and theoretical studies of the energetics of adsorption and surface reactivity, including an exhaustive comparison of data for which experimental SCAC data and DFT slab results are available for the same systems. We demonstrate how the current understanding of chemical bonding and reactivity at surfaces has been transformed through the use of these techniques. 7. Active sites on oxides: From single crystals to catalysts • ARTICLE Pages 261-331 Hicham Idriss and Mark A. Barteau Abstract Metal oxides are ubiquitous in heterogeneous catalysis, serving as catalysts, as catalyst supports, and as modifiers and promoters, among other roles. The surface science approach to understanding the structure and reactivity of metal oxide surfaces has blossomed during the preceding decade. We consider here important concepts drawn from catalysis by metal oxides and their connections to reaction pathways and principles of oxide surface reactivity revealed by experimental and theoretical studies of well-defined oxide surfaces. The applications of reaction mechanisms and site requirements from surface science studies of carboxylic acid chemistry, in particular, to emerging catalysts for dehydration, coupling, and reduction reactions provide important examples of contributions to heterogeneous catalysis from oxide surface science. We also consider relationships between oxide surface reactivity and the physical and electronic properties of oxides as represented by characteristics such as electronegativity, bond energies, ionicity, Madelung potential, and polarizability. This analysis highlights the need for reaction data on well-defined single-crystal surfaces in order to distinguish structural and electronic effects when comparing patterns of catalytic activity and selectivity among different metal oxides. This review of the connetions between metal oxide single-crystal surfaces and high surface area catalysts (or their components) demonstrates the potential of surface science approaches to elucidate the chemical and physical bases for catalysis by metal oxides, in pursuit of the goal of catalyst design. 8. Catalysis and surface science: What do we learn from studies of oxide-supported cluster model systems? • ARTICLE Pages 333-384 H. -J. Freund, M. Bäumer and H. Kuhlenbeck Abstract Models of supported metal catalysts have been prepared by deposition of transition metal vapor onto thin, well-ordered oxide layers, particularly alumina. The average sizes of the metal particles and their size distributions are determined by nucleation and growth. Here, we review the morphology and structure of the oxide layers and the metal particles dispersed on them, as measured with a variety of methods including low-energy electron diffraction and scanning tunneling microscopy. Electronic and magnetic structure as a function of particle size, adsorption properties, as well as reactivity with varying particle size are reviewed. The electronic structure of supported palladium particles has been studied and indicates that a nonmetal to metal transition occurs for particles exceeding 70–80 atoms per aggregate. Adsorption of CO has been studied in detail by Fourier transform infrared spectroscopy. Interesting variations in the spectra when very small particles consisting of only a few metal atoms are investigated compared with larger particles and single-crystal surfaces are observed. CO dissociation has been studied on rhodium aggregates and a maximal dissociation rate has been found for aggregates containing several hundred metal atoms. The presence of defects on the particles is deduced to be origin of this behavior. 9. Sum frequency generation: Surface vibrational spectroscopy studies of catalytic reactions on metal single-crystal surfaces • ARTICLE Pages 385-438 Gabor A. Somorjai and Keith R. McCrea Abstract Sum frequency generation (SFG) has been used for molecular-level investigations of adsorbates under both ultrahigh vacuum and high-pressure catalytic reaction conditions to characterize several important catalytic reactions on platinum single crystals. These reactions include ethylene hydrogenation, propylene hydrogenation and dehydrogenation, cyclohexene hydrogenation and dehydrogenation, and carbon monoxide oxidation. From SFG spectra, important catalytic reaction intermediates were determined, and possible reaction spectator species were also identified. For ethylene and propylene hydrogenation, important reaction intermediates were determined to be π-bonded ethylene and propylene, respectively. During cyclohexene hydrogenation, 1,3-cyclohexadiene was observed to be the important reaction intermediate on both Pt(111) and Pt(100). By comparing SFGspectra characterizing cyclohexene dehydrogenation on Pt(111) and on Pt(100), it was determined that 1,3-cyclohexadiene is also an important reaction intermediate. Another intermediate, 1,4-cyclohexadiene, was also observed under dehydrogenation conditions on Pt(111) but not on Pt(100). This species was determined to be a spectator species. During carbon monoxide oxidation, incommensurate CO species were determined to be important reaction intermediates. 10. Index • MISCELLANEOUS Pages 439-448 ★★★★★★★★★★★★★★★★★★★★★★ [ Last edited by berlin on 2007-10-16 at 22:59 ] |
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[教程]G宝盘使用说明！ 具体见：【小木虫出品】[教程]G宝盘使用说明 http://muchong.com/bbs/viewthread.php?tid=401037 论坛空间有限，对一些几M甚至几十M的的文件来说，上传附件肯定不是一个好办法，我这里推荐一个网络硬盘： G宝盘： 主页：http://www.gbaopan.com/ 申请地址：http://www.gbaopan.com/Gbaopan.P ... ation/Register.aspx 容量：1G（免费用户）、1.5G（收费用户） 上传限制：单个文件10M（免费用户）、20M（收费用户） 下载限制：无 申请说明：邮件激活(不要用56.com邮箱注册) 详细说明： 1、登录 到其主页登录：http://www.gbaopan.com/ 点击右上方的会员登录 会跳出登录框（如果是800×600分辩率，登录框会出现在页面右侧可视范围外，不容易发现。 点击“进入G宝盘”，就会进入你的管理页面。 2、上传 用下面的工具条可以很方便地管理文件： 其中有个小图标是关于文件夹属性的，例如“名称”“描述”。 上传时，可以一次上传多个文件，可以选择是否发布； “发布”是指发布到你的个人门户中： http://你的用户名.gbaopan.com 可以选择不发布，不影响共享给他人。 “标签”是为了以后能够更好地查找文件，可以手动添加，也可以不添，它会自动添加。 3、共享 上传后就可以共享给他人了，方法： <1>如果你的文件已经发布，可以把你的个人门户给其他共享人： http://你的用户名.gbaopan.com <2>也可以点击“永久链接”小图标，得到文件的链接地址，把地址给其他共享人，他人可直接下载。 <3>如果你已经发布，可点击“修改”，在“发布”中选择“不”，就取消发布了。 <4>如果不希望他人从你的门户知道你都有什么好东东，可以取消发布，取消发布的文件，可以直接在文件名上点击右键>属性，得到其地址，把地址给其他共享人。 4.其它 其它功能自己慢慢体会，例如加入或建立群（建立群需收费用户），网页快照的存储等等。 管理完毕记得“注销”，这是个好习惯。 补充：如果你在G宝盘首页或其他地方看到的文件的链接是下面这样的： http://berlincat.gbaopan.com/fil ... a5.gbp?place=public 这样可能下载慢或者没有登录的话无法下载，你可以把链接最後面的： ?place=public 去掉 变成： http://berlincat.gbaopan.com/fil ... 939ae516a954fa5.gbp 这样就可以选择网通或者电信下载！ 举例： 这个帖子的文件就是用G宝盘共享的： http://muchong.com/bbs/viewthread.php?tid=400721 欢迎到我的门户： http://berlincat.gbaopan.com/ 忙了大半夜，累死，睡觉去了，enjoy it.... [ Last edited by berlin on 2007-1-30 at 15:19 ] |
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关于 Catalysis in Ionic Liquids这篇review
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斑斑，您好呀， 麻烦你下，这篇review的text文件下不下来呀？小弟很需要，能否帮个忙发一下呢？我的油箱：wishchan@gmail.com 非常感谢！！！ |
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楼住能否给我提供这篇文章： 题目：Theoretical surface science and catalysis - Calculations and concepts 作者：Hammer B, Norskov JK 来源：ADVANCES IN CATALYSIS 45: 71-129 2000 非常感谢！能的话发我邮箱里xinweizhang@dicp.ac.cn |
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简单回复
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