Spin dynamics in radical pairs. ([2018])

• Record Type: Book
• Further Information: Note: Alan Lewis.
• Authors: Lewis, Alan
• Contents: Intro; Supervisor's Foreword; Abstract; Parts of this thesis have been published in the following journal articles:; Acknowledgements; Contents; List of Figures; List of Tables; 1 Introduction; 1.1 Spin; 1.2 Radical Pair Reactions; 1.3 Magnetic Field Effects; 1.3.1 The High Field Effect; 1.3.2 The Low Field Effect; 1.3.3 Resonance Effect; 1.4 Applications; 1.4.1 Molecular Wires; 1.4.2 Avian Magnetoreception; 1.4.3 Magnetoelectroluminescence; 1.5 Outline of Thesis; References; 2 Quantum Mechanics; 2.1 The Hamiltonian; 2.1.1 Exchange Coupling; 2.1.2 Dipolar Coupling 2.1.3 The Zeeman Interaction2.1.4 Hyperfine Interactions; 2.2 The Recombination Operator; 2.2.1 The Haberkorn Recombination Operator; 2.2.2 An Alternative Recombination Operator; 2.3 Observables; 2.4 Coherent Spin States; 2.5 An Efficient Quantum Mechanical Method; 2.6 Spin Correlation Tensors; 2.7 Relaxation; 2.7.1 Modulation of Hyperfine Tensors; 2.7.2 Singlet-Triplet Dephasing; 2.8 Conclusion; References; 3 Semiclassical Approximations; 3.1 The Semiclassical Theory; 3.2 Schulten-Wolynes Theory; 3.3 Comparison of Methods; 3.3.1 A Simple Radical Pair; 3.3.2 Asymmetric Recombination Rates 3.3.3 Exchange Coupling3.4 Relaxation; 3.5 Conclusion; References; 4 Molecular Wires; 4.1 Mechanisms of Charge Recombination; 4.2 Simulation Details; 4.3 Results; 4.3.1 Shorter Wires; 4.3.2 Longer Wires; 4.4 Discussion; 4.4.1 Resonance Peak Widths; 4.4.2 Recombination Mechanisms; 4.4.3 The Origin of the Background; 4.5 Conclusions; References; 5 Avian Magnetoreception; 5.1 Background; 5.1.1 The Radical Pair Mechanism; 5.1.2 Cryptochrome; 5.1.3 The Magnetite Hypothesis; 5.2 A Prototypical Magnetoreceptor; 5.2.1 Simulation Details; 5.2.2 Results and Discussion; 5.3 Anisotropy 5.3.1 Simplified Cryptochrome Models5.3.2 The Full Cryptochrome Radical Pair; 5.3.3 A Compass Needle?; 5.4 Conclusion; References; 6 Magnetoelectroluminescence; 6.1 The Polaron Pair Mechanism; 6.2 The Relationship Between MEL and MC; 6.3 Simulating the Singlet Yield; 6.3.1 Hyperfine Fields in DOO-PPV; 6.3.2 Singlet-Triplet Dephasing; 6.4 Results and Discussion; 6.5 Conclusion; References; 7 Conclusions and Further Work; 7.1 Conclusions; 7.1.1 Theory; 7.1.2 Applications; 7.2 Further Work; 7.2.1 Triphasic Magnetic Field Effects; 7.2.2 Relaxation; References; A Wavepacket Propagation Techniques A.1 The Short Iterative Arnoldi MethodA.2 The Split Operator/Symplectic Integrator Method; Appendix B Rotationally Averaged Dipolar Coupling; Appendix C Generalising the Semiclassical Equations of Motion; Appendix D Schulten-Wolynes Expressions; Appendix E The Hyperfine Interactions of the Cryptochrome Radical Pair
• Publisher Details: Cham : Springer
• Publication Date: 2018
• Copyright Date: 2018
• Extent: 1 online resource, illustrations
• Subjects: 539.7/25; Chemistry; Nuclear spin; Electrons; SCIENCE / Physics / Quantum Theory; Science -- Magnetism; Science -- Chemistry -- Physical & Theoretical; Electricity, electromagnetism & magnetism; Quantum & theoretical chemistry; Chemistry, Physical organic; Magnetism; Physical chemistry; Electronic books
• Languages: English
• ISBNs: 9783030006860; 3030006867
• Related ISBNs: 9783030006853; 3030006859
• Notes: Note: Includes bibliographical references.; Note: Online resource ; title from PDF title page (EBSCO, viewed September 17, 2018).
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.