Molecular Water Oxidation Catalysis

A Key Topic for New Sustainable Energy Conversion Schemes

Inbunden, Engelska, 2014

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Photocatalytic water splitting is a promising strategy for capturing energy from the sun by coupling light harvesting and the oxidation of water, in order to create clean hydrogen fuel. Thus a deep knowledge of the water oxidation catalysis field is essential to be able to come up with useful energy conversion devices based on sunlight and water splitting.Molecular Water Oxidation Catalysis: A Key Topic for New Sustainable Energy Conversion Schemes presents a comprehensive and state-of-the-art overview of water oxidation catalysis in homogeneous phase, describing in detail the most important catalysts discovered today based on first and second row transition metals. A strong emphasis is placed on the description of their performance, as well as how they work from a mechanistic perspective. In addition, a theoretical description of some of the most relevant catalysts based on DFT are presented, as well as a description of related natural systems, such as the oxygen evolving system of photosystem II and the heme chlorite-dismutase.This book is a valuable resource for researchers working on water oxidation catalysis, solar energy conversion and artificial photosynthesis, as well as for chemists and materials scientists with a broad interest in new sustainable energy conversion schemes.

Produktinformation

Utgivningsdatum2014-05-30
Mått178 x 252 x 21 mm
Vikt644 g
FormatInbunden
SpråkEngelska
Antal sidor304
FörlagJohn Wiley & Sons Inc
ISBN9781118413371

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Professor Dr. Antoni Llobet, Institute of Chemical Research of Catalonia (ICIQ) and Universitat Autònoma de Barcelona, SpainProfessor Llobet is one of the world leaders on water oxidation catalysis. He has been working in the field of redox catalysis for 25 years; his research interests include the development of tailored transition metal complexes as catalysts for selective organic and inorganic transformations including the oxidation of water to molecular dioxygen, supramolecular catalysis, the activation of C-H and C-F bonds, and the preparation low molecular weight complexes as models of the active sites of oxidative metalloproteins.In 2000, Professor Llobet received the Distinction Award from Generalitat de Catalunya for Young Scientists and in 2011 he was awarded the Bruker Prize in Inorganic Chemistry from the Spanish Royal Society of Chemistry (RSEQ). He is the author of over 120 research publications.

List of Contributors xiPreface xv1. Structural Studies of Oxomanganese Complexes for Water Oxidation Catalysis 1Ivan Rivalta, Gary W. Brudvig, and Victor S. Batista1.1 Introduction 11.2 Structural Studies of the OEC 21.3 The Dark-Stable State of the OEC 41.4 Biomimetic Oxomanganese Complexes 61.5 Base-Assisted O–O Bond Formation 71.6 Biomimetic Mn Catalysts for Artificial Photosynthesis 81.7 Conclusion 11Acknowledgments 12References 122. O–O Bond Formation by a Heme Protein: The Unexpected Efficiency of Chlorite Dismutase 15Jennifer L. DuBois2.1 Introduction 152.2 Origins of O2-Evolving Chlorite Dismutases (Clds) 152.3 Major Structural Features of the Proteins and their Active Sites 162.4 Efficiency, Specificity, and Stability 202.5 Mechanistic Insights from Surrogate Reactions with Peracids and Peroxide 222.6 Possible Mechanisms 232.7 Conclusion 25Acknowledgements 25References 253. Ru-Based Water Oxidation Catalysts 29Laia Francàs, Roger Bofill, Jordi García-Antón, Lluis Escriche, Xavier Sala and Antoni Llobet3.1 Introduction 293.2 Proton-Coupled Electron Transfer (PCET) and Water Oxidation Thermodynamics 313.3 O–O Bond Formation Mechanisms 333.4 Polynuclear Ru Water Oxidation Catalysts 343.5 Mononuclear Ru WOCs 403.6 Anchored Molecular Ru WOCs 423.7 Light-Induced Ru WOCs 433.8 Conclusion 45Acknowledgments 46References 464. Towards the Visible Light-Driven Water Splitting Device: Ruthenium Water Oxidation Catalysts with Carboxylate-Containing Ligands 51Lele Duan, Lianpeng Tong, and Licheng Sun4.1 Introduction 514.2 Binuclear Ru Complexes 524.3 Mononuclear Ru Complexes 544.3.1 Ru–O2N–N3 Analogs 554.3.2 Ru–O2N2–N2 Analogs 574.4 Homogeneous Light-Driven Water Oxidation 684.4.1 The Three-Component System 684.4.2 The Supramolecular Assembly Approach 694.5 Water Oxidation Device 724.5.1 Electrochemical Water Oxidation Anode 724.5.2 Photo-Anode for Water Oxidation 744.6 Conclusion 75References 755. Water Oxidation by Ruthenium Catalysts with Non-Innocent Ligands 77Tohru Wada, Koji Tanaka, James T. Muckerman, and Etsuko Fujita5.1 Introduction 775.2 Water Oxidation Catalyzed by Dinuclear Ruthenium Complexes with NILs 815.3 Water Oxidation by Intramolecular O–O Coupling with [RuII2 (𝜇-Cl)(bpy)2(btpyan)]3+ 855.4 Mononuclear Ru–Aqua Complexes with a Dioxolene Ligand 915.4.1 Structural Characterization 915.4.2 Theoretical and Electrochemical Characterization 965.5 Mechanistic Investigation of Water Oxidation by Dinuclear Ru Complexes with NILs: Characterization of Key Intermediates 101References 1076. Recent Advances in the Field of Iridium-Catalyzed Molecular Water Oxidation 113James A. Woods, Stefan Bernhard, and Martin Albrecht6.1 Introduction 1136.2 Bernhard 2008 [11] 1146.3 Crabtree 2009 1156.4 Crabtree 2010 1166.5 Macchioni 2010 1176.6 Albrecht/Bernhard 2010 1176.7 Hetterscheid/Reek 2011 1186.8 Crabtree 2011 1196.9 Crabtree 2011 1206.10 Lin 2011 1206.11 Macchioni 2011 1226.12 Grotjahn 2011 1236.13 Fukuzumi 2011 1236.14 Lin 2012 1246.15 Crabtree 2012 1256.16 Albrecht/Bernhard 2012 1256.17 Crabtree 2012 1266.18 Beller 2012 1276.19 Lin 2012 1286.20 Lloblet and Macchioni 2012 1296.21 Analysis 130References 1317. Complexes of First Row d-Block Metals: Manganese 135Philipp Kurz7.1 Background 1357.2 Oxidation States of Manganese in an Aqueous Environment 1377.3 Dinuclear Manganese Complexes: Syntheses and Structures 1387.4 Redox and Acid–Base Chemistry of Mn2-𝜇-WDL Systems 1397.5 Mn2 Systems: Oxygen Evolution (but not Water Oxidation) Catalysis 1427.6 Mn2 Complexes/the OEC/Ru2 Catalysts: A Comparison 1447.7 Heterogeneous Water Oxidation Catalysis by Mn>2 Systems 1467.8 Conclusion 148Acknowledgements 148References 1498. Molecular Water Oxidation Catalysts from Iron 153W. Chadwick Ellis, Neal D. McDaniel, and Stefan Bernhard8.1 Introduction 1538.2 Fe-Tetrasulfophthalocyanine 1548.3 Fe-TAML 1558.4 Fe-mcp 1578.5 Fe2O3 as a Microheterogeneous Catalyst 1588.6 Conclusion 160References 1619. Water Oxidation by Co-Based Oxides with Molecular Properties 163Marcel Risch, Katharina Klingan, Ivelina Zaharieva, and Holger Dau9.1 Introduction 1639.2 CoCat Formation 1649.3 Structure and Structure–Function Relations 1669.4 Functional Characterization 1739.5 Directly Light-Driven Water Oxidation 175References 18010. Developing Molecular Copper Complexes for Water Oxidation 187Shoshanna M. Barnett, Christopher R. Waidmann, Margaret L. Scheuermann, Jared C. Nesvet, Karen Goldberg and James M. Mayer10.1 Introduction 18710.2 A Biomimetic Approach 18810.2.1 Thermochemistry: Developing Oxidant/Base Combinations as PCET Reagents 18910.2.2 Copper Complexes with Alkylamine Ligands 19010.2.3 Copper Complexes with Anionic Ligands 19510.2.4 Lessons Learned: Thermochemical Insights and Oxidant/Base Compatibility 19810.3 An Aqueous System: Electrocatalysis with (bpy)Cu(II) Complexes 19810.3.1 System Selection: bpy + Cu 19910.3.2 Observing Electrocatalysis 19910.3.3 Catalyst Turnover Number and Turnover Frequency 20110.3.4 Catalyst Speciation: Monomer, Dimer, or Nanoparticles? 20310.4 Conclusion 206Acknowledgement 206References 20711. Polyoxometalate Water Oxidation Catalytic Systems 211Jordan M. Sumliner, James W. Vickers, Hongjin Lv, Yurii V. Geletii, andCraig L. Hill11.1 Introduction 21111.2 Recent POM WOCs 21411.3 Assessing POM WOC Reactivity 22011.4 The Ru(bpy)3 2+ ∕S2O8 2-System 22111.5 Ru(bpy) 3 3+ as an Oxidant for POM WOCs 22211.6 Additional Aspects of WOC System Stability 22411.7 Techniques for Assessing POM WOC Stability 22411.8 Conclusion 227Acknowledgments 228References 22812. Quantum Chemical Characterization of Water Oxidation Catalysts 233Pere Miró, Mehmed Z. Ertem, Laura Gagliardi, and Christopher J. Cramer12.1 Introduction 23312.2 Computational Details 23512.2.1 Density Functional Theory Calculations 23512.2.2 Multiconfigurational Calculations 23612.3 Methodology 23712.3.1 Solvation and Standard Reduction Potentials 23712.3.2 Multideterminantal State Energies 23812.4 Water Oxidation Catalysts 23812.4.1 Ruthenium-Based Catalysts 23812.4.2 Cobalt-Based Catalysts 24512.4.3 Iron-Based Catalysts 24812.5 Conclusion 251References 252Index 257