TY  - BOOK
AU  - Swart,Marcel
AU  - Costas Salgueiro,Miquel
TI  - Spin states in biochemistry and inorganic chemistry: influence on structure and reactivity 
SN  - 9781118898284 (ePub)
AV  - QP527 
U1  - 612/.01524 23
PY  - 2016///
CY  - Chichester, West Sussex
PB  - John Wiley & Sons, Inc.
KW  - Nuclear spin
KW  - Free radicals (Chemistry)
KW  - Biochemistry
KW  - Chemistry, Inorganic
KW  - MEDICAL / Physiology
KW  - bisacsh
KW  - SCIENCE / Life Sciences / Human Anatomy & Physiology
KW  - fast
KW  - Electronic books
N1  - Includes bibliographical references and index; 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; 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; 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; 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; 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; ls
UR  - http://dx.doi.org/10.1002/9781118898277
ER  -