Harriman / Loebl Theoretical Foundations of Electron Spin Resonance

Physical Chemistry: A Series of Monographs
1. Auflage 2013
ISBN: 978-1-4831-9166-9
Verlag: Elsevier Science & Techn.
Format: PDF
Kopierschutz: 1 - PDF Watermark

E-Book, Englisch, 416 Seiten, Web PDF

Theoretical Foundations of Electron Spin Resonance deals with the theoretical approach to electron paramagnetic resonance. The book discusses electron spin resonance in applications related to polyatomic, probably organic, free radicals in condensed phases. The book also focuses on essentially static phenomena, that is, the description and determination of stationary-state energy levels. The author reviews the Dirac theory of the electron in which a four-component wave function is responsible for the behavior of the electron. The author then connects this theory with the nonrelativistic wave function theory. The book also addresses the relationship between spin Hamiltonian parameters and observable energy levels, as well as the expressions for specific spin Hamiltonian parameters concerning operators and wave functions. The book discusses wave- functions for open-shell systems; as well as how to extract values of spin Hamiltonian from information related to wave functions. The author then examines empirically adjusted parameters that can determine the wave function itself. This book can prove valuable for scientists involved with nuclear physics, molecular physics, and researchers in chemical physics.

Autoren/Hrsg.

Harriman, John E.

Loebl, Ernest M.

Inhaltsverzeichnis

1;Front Cover;1
2;Theoretical Foundations of Electron Spin Resonance;4
3;Copyright Page;5
4;Table of Contents;6
5;PREFACE;10
6;ACKNOWLEDGMENTS;14
7;CHAPTER 0. REVIEW OF ELEMENTARY ELECTRON SPIN RESONANCE;16
7.1;Systems Studied by Electron Spin Resonance;16
7.2;The Basic Electron Spin Resonance Experiment;17
7.3;Relaxation and Lineshape;19
7.4;The Spin Hamiltonian;21
7.5;The Electronic Zeeman Interaction;22
7.6;Magnetic Hyperfine Interactions;24
7.7;Equivalent Nuclei and Intensity Patterns;25
7.8;Other Interactions;28
8;Chapter I.
THE ORIGIN OF MAGNETICENERGY LEVELS;30
8.1;1. The Dirac Electron;30
8.2;2. The Relationship between Relativistic and Nonrelativistic Theories;52
8.3;3. Radiative Corrections;83
8.4;4 . Relativistic Many-Electron Theories;91
8.5;5. Effects of Nuclear Structure;105
8.6;6. The Separation of Nuclear and Electronic Motions;113
9;Chapter II.
THE DESCRIPTION OF MAGNETIC ENERGY LEVELS;126
9.1;7. The Spin Hamiltonian as a Summary of Experimental Data;126
9.2;8. The Relationship of the Spin Hamiltonian to Calculated Energy Levels;179
9.3;9. Perturbation Expressions for Spin Hamiltonian Parameters;204
9.4;10. Summarizing Calculated Data in Terms of Density Matrix Components;223
10;Chapter III.
CALCULATIONS;236
10.1;11. Wave Functions for Open-Shell Systems;236
10.2;12. Evaluation of Spin Hamiltonian Parameters;292
10.3;13. Semiempirical Methods;317
10.4;14. External Perturbations;341
11;APPENDICES;344
11.1;Appendix A: Classical Mechanics and Fields including Relativistic Forms; Units;344
11.2;Appendix B: Gauge Transformations in Nonrelativistic Quantum Mechanics;358
11.3;Appendix C: Rotations, Tensors, Angular Momentum, and Related Topics;361
11.4;Appendix D: Reduced Density Matrice;380
11.5;Appendix E: Some Useful Operator Identities and Matrix Relationships;385
11.6;Appendix F: Summary of Terms in the Hamiltonian;393
12;REFERENCES;402
13;INDEX;410
14;Physical Chemistry;415