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RESEARCH PAPER · Physical Chemistry Chemical Physics · 2005

In situ spectroscopic investigation of heterogeneous catalysts and reaction media at high pressure

Jan‐Dierk Grunwaldt, Alfons Baiker

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In situ spectroscopic investigation of heterogeneous catalysts and reaction media at high pressureOriginalSolvent-modified supercritical CO2: A beneficial medium for heterogeneously catalyzed oxidation reactions41IR spectroscopy and phase behavior studies of the catalytic synthesis of propylene carbonate: Expanded liquid versus supercritical fluid252D-Mapping of the Catalyst Structure Inside a Catalytic Microreactor at Work: Partial Oxidation of Methane over Rh/Al 2 O 3158Continuous catalytic oxidation of solid alcohols in supercritical CO2: A parametric and spectroscopic study of the transformation of cinnamyl alcohol over Pd/Al2O355In Situ Extended X-ray Absorption Fine Structure Study during Selective Alcohol Oxidation over Pd/Al2O3 in Supercritical Carbon Dioxide53The Tishchenko Reaction: A Classic and Practical Tool for Ester Synthesis159Distinct spatial changes of the catalyst structure inside a fixed-bed microreactor during the partial oxidation of methane over Rh/Al2O377Discrimination of Active Palladium Sites in Catalytic Liquid-Phase Oxidation of Benzyl Alcohol133Comparative in situ XAS investigations during aerobic oxidation of alcohols over ruthenium, platinum and palladium catalysts in supercritical CO227Hydrothermal Synthesis of Molybdenum Oxide Based Materials: Strategy and Structural Chemistry62Combining diffuse reflectance infrared spectroscopy (DRIFTS), dispersive EXAFS, and mass spectrometry with high time resolution: Potential, limitations, and application to the study of NO interaction with supported Rh catalysts77Identification of the surface species responsible for N2O formation from the chemisorption of NO on Rh/alumina29Highly Flexible Fibre-Optic ATR-IR Probe for Inline Reaction Monitoring55Continuous catalytic “one-pot” multi-step synthesis of 2-ethylhexanal from crotonaldehyde36Infrared and Raman Spectroscopy for Characterizing Zeolites82Applicability of Fiber-Optic-Based Raman Probes for On-Line Reaction Monitoring of High-Pressure Catalytic Hydrogenation Reactions8Heterogene Katalyse in überkritischen Medien – 1. Kohlendioxid5In-situ X-ray Absorption Spectroscopy of Supported Ru Catalysts in the Aqueous Phase58Partial pressure dependent in situ spectroscopic study on the preferential CO oxidation in hydrogen (PROX) over Pt/ceria catalysts72Heterogeneous Catalysis in Supercritical Media: 1. Carbon Dioxide58Design of a high-temperature and high-pressure liquid flow cell for x-ray absorption fine structure measurements under catalytic reaction conditions28A Study of the pH Dependence of the Two‐Step Oximation of Acetone by in situ Fourier Transform Infrared Spectroscopy16Palladium Supported on an Acidic Resin: A Unique Bifunctional Catalyst for the Continuous Catalytic Hydrogenation of Organic Compounds in Supercritical Carbon Dioxide62Heterogeneous Catalytic Hydrogenation in Supercritical Fluids: Potential and Limitations84High pressure in organic chemistry on the way to miniaturization80Advances in phase equilibrium engineering of supercritical reactors19In Situ Attenuated Total Reflection Infrared Spectroscopy of Imidazolium-Based Room-Temperature Ionic Liquids under “Supercritical” CO2120Catalysts at work: From integral to spatially resolved X-ray absorption spectroscopy100Chapter 6 Characterization of Catalysts in Reactive Atmospheres by X‐ray Absorption Spectroscopy98Synchrotron Studies of Catalysts: From XAFS to QEXAFS and Beyond21Recent advances in heterogeneous catalysis enabled by first-principles methods4Catalytic Oxidations in Dense Carbon Dioxide99Selective Oxidation Catalysis: Opportunities and Challenges142Advances in Infrared Spectroscopy of Catalytic Solid–Liquid Interfaces: The Case of Selective Alcohol Oxidation67Shining X-rays on catalysts at work16Flow Processes Using Polymer-supported Reagents, Scavengers and Catalysts4EXAFS as a tool to interrogate the size and shape of mono and bimetallic catalyst nanoparticles186Identifying reaction intermediates and catalytic active sites through in situ characterization techniques81Modeling of enzyme catalyzed racemic reactions and modification of enantioselectivity0The design and testing of kinetically-appropriate operando spectroscopic cells for investigating heterogeneous catalytic reactions155Simple in Situ Monitoring of a Complex Catalytic Reaction Network at High Pressure by Attenuated Total Reflection Fourier Transform Infrared Spectroscopy6Heterogeneous Catalysis21Study of the effect of adding a promoter on the chlorinated alumina supported Pt-Sn system for catalytic reforming0Combined in situ X-ray absorption and diffuse reflectance infrared spectroscopy: An attractive tool for catalytic investigations14A large-volume gas cell for high-energy X-ray reflectivity investigations of interfaces under pressure10High-Pressure CO Adsorption on Cu-Based Catalysts: Zn-Induced Formation of Strongly Bound CO Monitored by ATR-IR Spectroscopy37In situdiffuse reflectance IR spectroscopy and X-ray absorption spectroscopy for fast catalytic processes47Heterogeneously Catalysed Aldol Reactions in Supercritical Carbon Dioxide as Innovative and Non-Flammable Reaction Medium15HERFD XAS/ATR-FTIR batch reactor cell33Effect of High Pressure CO2on the Structure of PMMA: A FT-IR Study26Applications of extended X-ray absorption fine-structure spectroscopy to studies of bimetallic nanoparticle catalysts321Study of the Chemical Mechanism Involved in the Formation of Tungstite in Benzyl Alcohol by the Advanced QEXAFS Technique34Probing Liquid/Solid Interfaces at the Molecular Level458Effective Reaction Monitoring of Intermediates by ATR-IR Spectroscopy Utilizing Fibre Optic Probes1Disposable Attenuated Total Reflection-Infrared Crystals from Silicon Wafer: A Versatile Approach to Surface Infrared Spectroscopy46High energy resolution fluorescence detection XANES – an in situ method to study the interaction of adsorbed molecules with metal catalysts in the liquid phase26In situ spectroscopic investigation of oxidative dehydrogenation and disproportionation of benzyl alcohol54The chemical sensitivity of X-ray spectroscopy: high energy resolution XANES versus X-ray emission spectroscopy of substituted ferrocenes58Reactivity of Surface Species in Heterogeneous Catalysts Probed by In Situ X-ray Absorption Techniques643One body, many heads; the Cerberus of catalysis. A new multipurpose in-situ cell for XAS at ALBA4Combining Infrared Spectroscopy with X‐ray Techniques for Interrogating Heterogeneous Catalysts5Diol Oxidation to Diacids over Supported Metal Catalysts0New advances in the use of infrared absorption spectroscopy for the characterization of heterogeneous catalytic reactions324High-Pressure–Low-Temperature Cryostat Designed for Use with Fourier Transform Infrared Spectrometers and Time-Resolved Infrared Spectroscopy1Hydrodeoxygenation of Lignocellulose-Derived Platform Molecules5Aging of a Pt/Al 2 O 3 exhaust gas catalyst monitored by quasi in situ X-ray micro computed tomography22Aerobic Oxidations in Continuous Flow32Lithographically fabricated silicon microreactor for in situ characterization of heterogeneous catalysts—Enabling correlative characterization techniques9Operando spatially and time-resolved X-ray absorption spectroscopy and infrared thermography during oscillatory CO oxidation108In situ infrared spectroscopy under hydrothermal conditions : application for aqueous phase reforming3Application of supercritical carbon dioxide for leather processing53Direct in situ observation of ZnO nucleation and growth via transmission X-ray microscopy16XAS Spectroscopy: Related Techniques and Combination with Other Spectroscopic and Scattering Methods10Zinc oxide (ZnO) based quantum dots for bioimaging applications of lipid nanocarriers1ATR-IR spectroscopic cell for in situ studies at solid-liquid interface at elevated temperatures and pressures18Cell Designs for In Situ and Operando Studies22Interplay between Reaction and Phase Behaviour in Carbon Dioxide Hydrogenation to Methanol17Applications of Modulation Excitation Spectroscopy in Heterogeneous Catalysis163Exploring photoswitching pathways in photomagnetic materials with ultrafast optical and X-ray spectroscopies0Rational Design of Catalytic Centers in Crystalline Frameworks161Trends and Advances in the Characterization of Gas Sensing Materials Based on Semiconducting Oxides42Moving Frontiers in Transition Metal Catalysis: Synthesis, Characterization and Modeling50Current Understanding of the Fundamental Mechanisms of Doped and Loaded Semiconducting Metal-Oxide-Based Gas Sensing Materials519Applications of supercritical carbon dioxide in textile industry17Atomic scale insight into platinum based catalysts supported on chlorinated gamma-alumina0Mechanistic insights into the selective oxidation of 5-(hydroxymethyl)furfural over silver-based catalysts22Shining light on the solid–liquid interface: in situ / operando monitoring of surface catalysis38Solid acids, surface acidity and heterogeneous acid catalysis36Probing Liquid/Solid Interfaces at the Molecular Level1The role of platinum on the NO x storage and desorption behavior of ceria: an online FT-IR study combined with in situ Raman and UV-vis spectroscopy11Real-Time Reaction Monitoring with In Operando Flow NMR and FTIR Spectroscopy: Reaction Mechanism of Benzoxazole Synthesis28From thermal catalysis to plasma catalysis: a review of surface processes and their characterizations56Deciphering Metal–Oxide and Metal–Metal Interplay via Surface Organometallic Chemistry: A Case Study with CO 2 Hydrogenation to Methanol98Insights into the Structural Dynamics of Pt/CeO2 Single-Site Catalysts during CO Oxidation15Continuous-flow reactor setup for operando x-ray absorption spectroscopy of high pressure heterogeneous liquid–solid catalytic processes6Versatile in situ/operando Setup for Studying Catalysts by X‐Ray Absorption Spectroscopy under Demanding and Dynamic Reaction Conditions for Energy Storage and Conversion25Thermodynamics of Carbon Monoxide Adsorption on Cu/SBA-15 Catalysts: Under Vacuum versus under Atmospheric Pressures12Chemical stability of polyelectrolyte sulfonated membranes (St-BuA) in acid media: simultaneous electrochemical and spectroscopic characterization by in-situ FTIR5Design of Single-Atom Catalysts and Tracking Their Fate Using Operando and Advanced X-ray Spectroscopic Tools291Operando CO Infrared Spectroscopy and On-Line Mass Spectrometry for Studying the Active Phase of IrO2 in the Catalytic CO Oxidation Reaction9Multi-technique operando methods and instruments for simultaneous assessment of thermal catalysis structure, performance, dynamics, and kinetics18Direct Observation of Ni Nanoparticle Growth in Carbon-Supported Nickel under Carbon Dioxide Hydrogenation Atmosphere29Identifying the Active Phase of RuO2 in the Catalytic CO Oxidation Reaction, Employing Operando CO Infrared Spectroscopy and Online Mass Spectrometry15Expanding the toolbox for development of metal‐based dual‐functional catalytic membranes8Novel high-pressure/high-temperature reactor cell for in situ and operando x-ray absorption spectroscopy studies of heterogeneous catalysts at synchrotron facilities5In situ X-ray based analysis of anode materials for lithium-ion batteries: Current status and future implications26Operando fluorescence spectroscopy for evaluating the activity of fatty acid hydrogenation catalysts0Surface Sensitivity of Mesoporous Carbon-Supported Iron Catalysts in the Fischer–Tropsch Synthesis: An In Situ XPS Site Evolution at Distinct Reaction Conditions14In-situ two-dimensional MAS NMR spectroscopy for heterogeneous catalysis2Catalyst Design for Sustainable Reactions: A Primer toward Knowledge-Driven Innovation0

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  1. Solvent-modified supercritical CO2: A beneficial medium for heterogeneously catalyzed oxidation reactions

    Applied Catalysis A General · 2005-11-17

    Matteo Caravati, Jan‐Dierk Grunwaldt, Alfons Baiker

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  2. IR spectroscopy and phase behavior studies of the catalytic synthesis of propylene carbonate: Expanded liquid versus supercritical fluid

    Applied Catalysis A General · 2006-03-30

    Michael Ramin, Jan‐Dierk Grunwaldt, Alfons Baiker

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  3. 2D-Mapping of the Catalyst Structure Inside a Catalytic Microreactor at Work: Partial Oxidation of Methane over Rh/Al 2 O 3

    The Journal of Physical Chemistry B · 2006-04-07

    Jan‐Dierk Grunwaldt, Stefan Hannemann, Christian G. Schroer, Alfons Baiker

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  4. Continuous catalytic oxidation of solid alcohols in supercritical CO2: A parametric and spectroscopic study of the transformation of cinnamyl alcohol over Pd/Al2O3

    Journal of Catalysis · 2006-04-27

    Matteo Caravati, Daniel M. Meier, Jan‐Dierk Grunwaldt, Alfons Baiker

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  5. In Situ Extended X-ray Absorption Fine Structure Study during Selective Alcohol Oxidation over Pd/Al2O3 in Supercritical Carbon Dioxide

    The Journal of Physical Chemistry B · 2006-05-01

    Jan‐Dierk Grunwaldt, Matteo Caravati, Alfons Baiker

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  6. The Tishchenko Reaction: A Classic and Practical Tool for Ester Synthesis

    Chemistry Letters · 2006-06-27

    Tsunetake Seki, Tetsuo Νakajo, Makoto Onaka

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  7. Distinct spatial changes of the catalyst structure inside a fixed-bed microreactor during the partial oxidation of methane over Rh/Al2O3

    Catalysis Today · 2006-09-27

    Stefan Hannemann, Jan‐Dierk Grunwaldt, Niels van Vegten, Alfons Baiker, Pit Boye, Christian G. Schroer

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  8. Discrimination of Active Palladium Sites in Catalytic Liquid-Phase Oxidation of Benzyl Alcohol

    The Journal of Physical Chemistry B · 2006-10-31

    Davide Ferri, Cecilia Mondelli, Frank Krumeich, Alfons Baiker

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  9. Comparative in situ XAS investigations during aerobic oxidation of alcohols over ruthenium, platinum and palladium catalysts in supercritical CO2

    Catalysis Today · 2006-11-17

    Matteo Caravati, Jan‐Dierk Grunwaldt, Alfons Baiker

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  10. Hydrothermal Synthesis of Molybdenum Oxide Based Materials: Strategy and Structural Chemistry

    Chemistry - A European Journal · 2006-11-17

    Alexej Michailovski, Greta Ricarda Patzke

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  11. Combining diffuse reflectance infrared spectroscopy (DRIFTS), dispersive EXAFS, and mass spectrometry with high time resolution: Potential, limitations, and application to the study of NO interaction with supported Rh catalysts

    Catalysis Today · 2006-11-21

    Mark A. Newton, Andrew J. Dent, Steven G. Fiddy, Bhrat Jyoti, John Evans

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  12. Identification of the surface species responsible for N2O formation from the chemisorption of NO on Rh/alumina

    Physical Chemistry Chemical Physics · 2006-11-21

    Mark A. Newton, Andrew J. Dent, Steven G. Fiddy, Bhrat Jyoti, John Evans

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  13. Highly Flexible Fibre-Optic ATR-IR Probe for Inline Reaction Monitoring

    Organic Process Research & Development · 2006-12-23

    Clemens B. Minnich, Pascal Buskens, H. Christian Steffens, Patrick Steven Bäuerlein, Leonid N. Butvina, Lukas Küpper, Walter Leitner, Marcel Liauw, Lasse Greiner

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  14. Continuous catalytic “one-pot” multi-step synthesis of 2-ethylhexanal from crotonaldehyde

    Chemical Communications · 2007-01-01

    Tsunetake Seki, Jan‐Dierk Grunwaldt, Alfons Baiker

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  15. Infrared and Raman Spectroscopy for Characterizing Zeolites

    Studies in surface science and catalysis · 2007-01-01

    Johannes A. Lercher, Andreas Jentys

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  16. Applicability of Fiber-Optic-Based Raman Probes for On-Line Reaction Monitoring of High-Pressure Catalytic Hydrogenation Reactions

    Applied Spectroscopy · 2007-05-01

    Gerben M. Hamminga, Guido Mul, J.A. Moulijn

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  17. Heterogene Katalyse in überkritischen Medien – 1. Kohlendioxid

    Chemie Ingenieur Technik · 2007-05-24

    Andrea Kruse, H. Vogel

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  18. In-situ X-ray Absorption Spectroscopy of Supported Ru Catalysts in the Aqueous Phase

    Chemistry of Materials · 2007-06-09

    William C. Ketchie, Erin P. Maris, Robert J. Davis

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  19. Partial pressure dependent in situ spectroscopic study on the preferential CO oxidation in hydrogen (PROX) over Pt/ceria catalysts

    Journal of Catalysis · 2007-06-20

    Detre Teschner, Attila Wootsch, Olga Pozdnyakova, Jutta Kröhnert, Elaine M. Vass, Michael Hävecker, Spyridon Zafeiratos, Péter Schnörch, Friederike C. Jentoft, Axel Knop‐Gericke, Robert Schlögl

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  20. Heterogeneous Catalysis in Supercritical Media: 1. Carbon Dioxide

    Chemical Engineering & Technology · 2007-12-28

    Andrea Kruse, H. Vogel

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  21. Design of a high-temperature and high-pressure liquid flow cell for x-ray absorption fine structure measurements under catalytic reaction conditions

    Review of Scientific Instruments · 2008-01-01

    Toshihide Kawai, Wang‐Jae Chun, Kiyotaka Asakura, Yuichiro Koike, Masaharu Nomura, Kyoko Kitamura Bando, Shigeo Ted Oyama, Hitoshi Sumiya

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  22. A Study of the pH Dependence of the Two‐Step Oximation of Acetone by in situ Fourier Transform Infrared Spectroscopy

    Chemical Engineering & Technology · 2008-02-28

    György Keglevich, István Csontos, Nikolett Szilágyi, István Greiner

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  23. Palladium Supported on an Acidic Resin: A Unique Bifunctional Catalyst for the Continuous Catalytic Hydrogenation of Organic Compounds in Supercritical Carbon Dioxide

    Advanced Synthesis & Catalysis · 2008-03-12

    Tsunetake Seki, Jan‐Dierk Grunwaldt, Niels van Vegten, Alfons Baiker

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  24. Heterogeneous Catalytic Hydrogenation in Supercritical Fluids: Potential and Limitations

    Industrial & Engineering Chemistry Research · 2008-06-17

    Tsunetake Seki, Jan‐Dierk Grunwaldt, Alfons Baiker

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  25. High pressure in organic chemistry on the way to miniaturization

    Tetrahedron · 2008-08-04

    Fernando Benito‐Lopez, Richard J. M. Egberink, David N. Reinhoudt, Willem Verboom

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  26. Advances in phase equilibrium engineering of supercritical reactors

    The Journal of Supercritical Fluids · 2008-10-22

    Selva Pereda, Esteban A. Brignole, Susana B. Bottini

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  27. In Situ Attenuated Total Reflection Infrared Spectroscopy of Imidazolium-Based Room-Temperature Ionic Liquids under “Supercritical” CO2

    The Journal of Physical Chemistry B · 2008-12-09

    Tsunetake Seki, Jan‐Dierk Grunwaldt, Alfons Baiker

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  28. Catalysts at work: From integral to spatially resolved X-ray absorption spectroscopy

    Catalysis Today · 2008-12-20

    Jan‐Dierk Grunwaldt, Bertram Kimmerle, Alfons Baiker, Pit Boye, Christian G. Schroer, Pieter Glatzel, Camelia Nicoleta Borca, Felix Beckmann

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  29. Chapter 6 Characterization of Catalysts in Reactive Atmospheres by X‐ray Absorption Spectroscopy

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  30. Synchrotron Studies of Catalysts: From XAFS to QEXAFS and Beyond

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  31. Recent advances in heterogeneous catalysis enabled by first-principles methods

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  32. Catalytic Oxidations in Dense Carbon Dioxide

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  33. Selective Oxidation Catalysis: Opportunities and Challenges

    Topics in Catalysis · 2009-05-01

    Ive Hermans, Eyal Spier, Ulrich Neuenschwander, Natascia Turrà, Alfons Baiker

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  34. Advances in Infrared Spectroscopy of Catalytic Solid–Liquid Interfaces: The Case of Selective Alcohol Oxidation

    Topics in Catalysis · 2009-06-08

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  35. Shining X-rays on catalysts at work

    Journal of Physics Conference Series · 2009-11-01

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  36. Flow Processes Using Polymer-supported Reagents, Scavengers and Catalysts

    Royal Society of Chemistry eBooks · 2009-11-20

    Eduardo García‐Verdugo, Santiago V. Luis

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  37. EXAFS as a tool to interrogate the size and shape of mono and bimetallic catalyst nanoparticles

    Physical Chemistry Chemical Physics · 2010-01-01

    Andrew Michael Beale, Bert Marc Weckhuysen

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  38. Identifying reaction intermediates and catalytic active sites through in situ characterization techniques

    Chemical Society Reviews · 2010-01-01

    Andrew J. Foster, Raúl F. Lobo

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  39. Modeling of enzyme catalyzed racemic reactions and modification of enantioselectivity

    Institutional Repository of Leibniz Universität Hannover (Leibniz Universität Hannover) · 2010-01-01

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  40. The design and testing of kinetically-appropriate operando spectroscopic cells for investigating heterogeneous catalytic reactions

    Chemical Society Reviews · 2010-01-01

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  41. Simple in Situ Monitoring of a Complex Catalytic Reaction Network at High Pressure by Attenuated Total Reflection Fourier Transform Infrared Spectroscopy

    Applied Spectroscopy · 2010-03-01

    Jean‐Michel Andanson, Fabian Jutz, Alfons Baiker

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  42. Heterogeneous Catalysis

    Unknown journal · 2010-06-28

    Roger J. Gläser

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  43. Study of the effect of adding a promoter on the chlorinated alumina supported Pt-Sn system for catalytic reforming

    Unknown journal · 2010-09-30

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  44. Combined in situ X-ray absorption and diffuse reflectance infrared spectroscopy: An attractive tool for catalytic investigations

    Nuclear Instruments and Methods in Physics Research Section A Accelerators Spectrometers Detectors and Associated Equipment · 2010-11-25

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  45. A large-volume gas cell for high-energy X-ray reflectivity investigations of interfaces under pressure

    Journal of Synchrotron Radiation · 2011-01-25

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  46. High-Pressure CO Adsorption on Cu-Based Catalysts: Zn-Induced Formation of Strongly Bound CO Monitored by ATR-IR Spectroscopy

    Langmuir · 2011-03-25

    Zhimin Liu, André Rittermeier, Michael J. Becker, Kevin Kähler, Elke Löffler, Martin Muhler

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  47. In situdiffuse reflectance IR spectroscopy and X-ray absorption spectroscopy for fast catalytic processes

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  48. Heterogeneously Catalysed Aldol Reactions in Supercritical Carbon Dioxide as Innovative and Non-Flammable Reaction Medium

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  49. HERFD XAS/ATR-FTIR batch reactor cell

    Physical Chemistry Chemical Physics · 2011-09-12

    Martin Makosch, Christiane Kartusch, Jacinto Sá, R. B. Duarte, Jeroen A. van Bokhoven, Kristina O. Kvashnina, Pieter Glatzel, Daniel L. A. Fernandes, Maarten Nachtegaal, Evgeny Kleymenov, Jakub Szlachetko, Yorck‐Michael Neuhold, Konrad Hungerbühler

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  50. Effect of High Pressure CO2on the Structure of PMMA: A FT-IR Study

    The Journal of Physical Chemistry B · 2011-10-15

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