| Description |
1 online resource |
| Contents |
Title page; Copyright; Dedication; About the Editors; Marcel Swart; Miquel Costas; List of Contributors; Foreword; Acknowledgments; 1 General Introduction to Spin States; 1.1 Introduction; 1.2 Experimental Chemistry: Reactivity, Synthesis and Spectroscopy; 1.3 Computational Chemistry: Quantum Chemistry and Basis Sets; References; 2 Application of Density Functional and Density Functional Based Ligand Field Theory to Spin States; 2.1 Introduction; 2.2 What Is the Problem with Theory?; 2.3 Validation and Application Studies; 2.4 Concluding Remarks; Acknowledgments; References |
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3 Ab Initio Wavefunction Approaches to Spin States3.1 Introduction and Scope; 3.2 Wavefunction-Based Methods for Spin States; 3.3 Spin Crossover; 3.4 Magnetic Coupling; 3.5 Spin States in Biochemical and Biomimetic Systems; 3.6 Two-State Reactivity; 3.7 Concluding Remarks; References; 4 Experimental Techniques for Determining Spin States; 4.1 Introduction; 4.2 Magnetic Measurements; 4.3 EPR Spectroscopy; 4.4 Mössbauer Spectroscopy; 4.5 X-ray Spectroscopic Techniques; 4.6 NMR Spectroscopy; 4.7 Other Techniques; 4.A Appendix; References; 5 Molecular Discovery in Spin Crossover; 5.1 Introduction |
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5.2 Theoretical Background5.3 Thermal SCO Systems: Fe(II); 5.4 SCO in Non-d6 Systems; 5.5 Computational Methods; 5.6 Outlook; References; 6 Multiple Spin-State Scenarios in Organometallic Reactivity; 6.1 Introduction; 6.2 "Spin-Forbidden" Reactions and Two-State Reactivity; 6.3 Spin-State Changes in Transition Metal Complexes; 6.4 Spin-State Changes in Catalysis; 6.5 Concluding Remarks; References; 7 Principles and Prospects of Spin-States Reactivity in Chemistry and Bioinorganic Chemistry; 7.1 Introduction; 7.2 Spin-States Reactivity |
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7.3 Prospects of Two-State Reactivity and Multi-State Reactivity7.4 Concluding Remarks; Acknowledgement; Note Added in Proof; References; 8 Multiple Spin-State Scenarios in Gas-Phase Reactions; 8.1 Introduction; 8.2 Experimental Methods for the Investigation of Metal-Ion Reactions; 8.3 Multiple State Reactivity: Reactions of Metal Cations with Methane; 8.4 Effect of the Oxidation State: Reactions of Metal Hydride Cations with Methane; 8.5 Two-State Reactivity: Reactions of Metal Oxide Cations; 8.6 Effect of Ligands; 8.7 Effect of Noninnocent Ligands; 8.8 Concluding Remarks; References |
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9 Catalytic Function and Mechanism of Heme and Nonheme Iron(IV)-Oxo Complexes in Nature9.1 Introduction; 9.2 Cytochrome P450 Enzymes; 9.3 Nonheme Iron Dioxygenases; 9.4 Conclusions; 9.5 Acknowledgments; References; 10 Terminal Metal-Oxo Species with Unusual Spin States; 10.1 Introduction; 10.2 Bonding; 10.3 Case Studies; 10.4 Reactivity; 10.5 Summary; Note Added in Proof; References; 11 Multiple Spin Scenarios in Transition-Metal Complexes Involving Redox Non-Innocent Ligands; 11.1 Introduction; 11.2 Survey of Non-Innocent Ligands; 11.3 Identification of Non-Innocent Ligands |
| Bibliography |
Includes bibliographical references and index |
| Notes |
Print version record and CIP data provided by publisher |
| Subject |
Nuclear spin.
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Free radicals (Chemistry)
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Biochemistry.
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Chemistry, Inorganic.
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Free Radicals
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Biochemistry
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Chemistry, Inorganic
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biochemistry.
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inorganic chemistry.
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MEDICAL -- Physiology.
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SCIENCE -- Life Sciences -- Human Anatomy & Physiology.
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Biochemistry
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Chemistry, Inorganic
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Free radicals (Chemistry)
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Nuclear spin
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Spin (Física nuclear)
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Radicals lliures (Química)
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Bioquímica.
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Química inorgànica.
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| Form |
Electronic book
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| Author |
Swart, Marcel, 1971- editor.
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Costas Salgueiro, Miquel, editor.
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| LC no. |
2015020830 |
| ISBN |
9781118898284 |
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1118898281 |
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9781118898307 |
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1118898303 |
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9781118898277 |
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1118898273 |
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