Multifrequency Electron Paramagnetic Resonance Data and Techniques

This handbook is aimed to deliver an up-to-date account of some of the recently developed experimental and theoretical methods in EPR, as well as a complete up-to-date listing of the experimentally determined values of multifrequency transition-ion spin Hamiltonian parameters by Sushil Misra, reported in the past 20 years, extending such a listing published by him in the Handbook on Electron Spin Resonance, volume 2. This extensive data tabulation makes up roughly 60% of the book`s content. It is complemented by the first full compilation of hyperfine splittings and g-factors for aminoxyl (nitroxide) radicals since 197 by Larry Berliner, a world expert on spin labeling, helping to identify and interpret substances and processes by means of EPR techniques. The book also includes coverage of the recently developed experimental technique of rapid-scan EPR by Sandra Eaton and Gareth Eaton, and a thorough review of computational modeling in EPR by Stefan Stoll, author of Easy Spin.

Sushil Misra has done extensive experimental and theoretical research in the area of electron spin resonance (ESR) for the last 28 years. Currently, he is a collaborating faculty member at the Advanced Center for Electron Spin Research technology at Cornell University. He has written many review articles and book chapters on the subject and published over 225 papers in refereed journals in the field of ESR. As a specialist frequently invited to international conferences and his involvement with the International EPR Society he not only contributed a significant portion to the Handbook on Electron Spin Resonance, volume 2, but also published another book with Wiley-VCH entitled "Multifrequency Electron Paramagnetic resonance: Theory and Applications", covering a large number of recently developed main topics in ESR.

With a background in physics, chemsitry, and bio-chemistry the author team combines a strong expertise in developing EPR instrumentation and applying it to condensed matter, proteins, and even for in-vivo studies.

PREFACE

CHAPTER I. INTRODUCTION
Sushil K. Misra, Physics Department, Concordia University

CHAPTER II. RAPID SCAN EPR
Sandra S. Eaton, Richard W. Quine, Mark Tseitlin, George A. Rinard, Deborah G. Mitchell, and Gareth R. Eaton;
Department of Chemistry and Biochemistry, University of Denver

1. The scope of rapid scan EPR
a. Magnetic field scans
b. Frequency scans
c. Relation to CW EPR and Pulsed EPR
2. How to select acquisition parameters
a. Line width
b. Relaxation times
c. Resonator bandwidth effects
3. Post-acquisition treatment of rapid scan EPR spectra
a. Deconvolution of linear scans
b. Deconvolution of sinusoidal scans
4. Simulation of rapid scan spectra
5. Scan coil design
6. Scan driver design
a. Linear drivers
b. Sinusoidal driver
c. Reduced duty cycle driver
7. Use of ENDOR type coils and RF amplifiers for very fast scans
8. Resonator design
9. Background signals
a. Cause
b. Methods of removal from rapid scan spectra
10. Examples of applications
a. Long relaxation times
b. Short relaxation times
c. Estimation of relaxation times
d. Spin trapped radicals
e. Imaging
11. Rapid scan EPR with small modification of routine commercial spectrometer
12. Signal to noise comparison with CW and pulse
13. Extension of the technology to scans shorter relative to relaxation times
14. Range of applications relative to CW and pulse

CHAPTER III. MULTIFREQUENCY TRANSITION ION DATA TABULATION
Sushil K. Misra, Sean Moncrieff, and Stefan Diehl
Physics Department, Concordia University

I. Introduction
II. Tabulations
III. References

CHAPTER IV. COMPILATION OF HYPERFINE SPLITTINGS AND g-FACTORS FOR AMINOXYL (NITROXIDE) RADICALS
Lawrence J. Berliner
Department of Chemistry and Biochemistry, University of Denver

I. Introduction
II. Tabulations
III. References

CHAPTER V. COMPUTATIONALMODELING AND LEAST-SQUARES FITTING OF EPR SPECTRA

Stefan Stoll
Department of Chemistry, University of Washington

1. Introduction
2. cw EPR in solids
2.1 Powder average
2.2 Theory levels
2.3 Line broadenings
3. cw EPR in liquids
3.1 Fast-tumbling regime
3.2 Slow-tumbling regime
3.3 Chemical exchange
4. ENDOR
5. Pulse EPR
6. Least-squares fitting
6.1 Algorithms
6.2 Objective functions
7. Outlook

Index