Introduction to Practical EPR Spectroscopy
- 1st Edition - March 1, 2027
- Latest edition
- Author: Wilfred R. Hagen
- Language: English
Introduction to Practical Electron Paramagnetic Resonance (EPR) Spectroscopy of randomly oriented molecules finds wide application in chemistry, biology, and many other relate… Read more
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Description
Description
Introduction to Practical Electron Paramagnetic Resonance (EPR) Spectroscopy of randomly oriented molecules finds wide application in chemistry, biology, and many other related disciplines. This graduate-level text guides the reader along the winding road of the undocumented pitfalls and unwritten rules-of-thumb that come with undertaking practical EPR spectroscopy. The aim is to provide a truly practical and complete introduction to this widely used method. With the required quantum mechanics limited to an indispensable minimum, the book comprehensively treats the basic theoretical and practical aspects of the methodology to educate the reader to the level of an independent EPR researcher in all aspects, including problem posing, sample preparation, machine operation, data collection and interpretation, numerical analysis, and scientific reporting.
Many EPR books have been written as expositions of the quantum-mechanical background of magnetic resonance, but without addressing critical practical questions in the lab including but not limited to:
Many EPR books have been written as expositions of the quantum-mechanical background of magnetic resonance, but without addressing critical practical questions in the lab including but not limited to:
- what knobs to turn
- how to make samples
- what programs to use (or not use)
- how to present experimental results
Key features
Key features
- Complete preparation tool for the reader to master all aspects of EPR spectroscopy in a research environment
- Contains a plethora of rules-of-thumb from the author’s 50 years of experience, which are generally not documented in existing literature
- Shows the reader how to make educated decisions on how, and up to what level, EPR data can be meaningfully analysed with numerical approaches
Readership
Readership
PhD, masters and postdoctoral students in chemistry, biology, physics, and related (multidisciplinary) fields in science and technology such as: biochemistry, organic chemistry, inorganic chemistry, bioinorganic chemistry, physical chemistry, molecular biology, microbiology, material science, and geology
Table of contents
Table of contents
Section I: Getting Started
1. Introduction: The Elementary EPR of Spin Adducts
1.1. Meet the spin trap
1.2. Radical EPR spectroscopy
1.3. Hyperfine interaction
1.4. Practical spin-trap EPR
1.5. Sample preparation and handling
1.6. Simulation of spin-trap EPR data
2. A Guided Tour Along the Features of a Typical EPR Experiment
2.1. The planning phase
2.2. Sample properties
2.3. Preparation for the spectroscopy
2.4. Operation of the spectrometer
2.5. Analysis and interpretation
2.6. Possible next steps
Section II: In the EPR Lab
3. Preparing the Spectrometer for Operation
3.1. Basic safety issues
3.2. Preparing the spectrometer station
3.3. Field modulation
3.4. Calibrating the modulation
4. Tuning and Running the Spectrometer
4.1. Choice of the frequency
4.2. Tuning the dip
4.3. What is a microwave bridge?
4.4. Noise damping with an RC filter
4.5. Signal averaging
5. Sample Specifications and Sample Handling
5.1. Samples and reactants
5.2. Forms of sample purity and their adjustments
5.3. Paramagnetic purity of complex systems
5.4. Samples from titrations of pH, time, Em
Section III: Tools for Analysis
6. Anisotropy and the Powder Pattern
6.1. Anisotropy
6.2. Walk over the unit sphere
6.3. Powder patterns
6.4. Alternative walks
6.5. Anisotropy in low-symmetry systems
7. The Spin Hamiltonian
7.1. The purpose of a spin Hamiltonian?
7.2. The simplest possible spin Hamiltonian
7.3. The powder pattern of a Zeeman interaction
7.4. Energy matrices of greater dimensionality
7.5. Example: Cu (II)
7.6. Transition probability
8. Interpretation of the g Value
8.1. Spin-orbit coupling
8.2. Axial example of g value shifts from SO coupling: 3d9
8.3. Rhombic example of g value shifts from SO coupling: low- spin 3d5
8.4. g Values of molecular metal clusters
9. Line Shapes and Linewidths
9.1. The basic shapes: Gaussian and Lorentzian
9.2. The role of temperature
9.3. Sources of linewidths
9.4. g Strain and its misinterpretation
9.5. Derived line shapes from indirect distributions
Section IV: Specific Problems
10. Hyperfine interactions
10.1. Central hyperfine interaction
10.2. Quadrupole interaction
10.3. Super-hyperfine interaction
10.4. Isotope enrichment effects
10.5. Tuning of hyperfine strength with frequency
10.6. Higher-order effects
10.7. Low-symmetry effects
11. High-Spin Systems
11.1. S = 1, S = n/2, S = n
11.2. Weak, intermediate, and strong field
11.3. Triplets
11.4. Boltzmann distribution over sublevels
11.5. Rhombograms and rhombospectra
11.6. Integer spins
12. Spectrum Simulation
12.1. Objectives of spectral simulations
12.2. Perturbation approach versus numerical diagonalization
12.3. Choice of platform (and program overview)
12.4. Optimization of the unit walk
12.5. Choice of language(s); choice of GUI
12.6. Code-optimization strategies
13. Quantification or Spin Counting
13.1. The external standard
13.2. Double integration
13.3. Incomplete spectra
13.4. Multi-component spectra
13.5. High-spin systems
14. Relaxation and Power Saturation
14.1. Spin-lattice relaxation mechanisms
14.2. Dependence on magnetic field and temperature
14.3. Partial saturation of inhomogeneous lines
14.4. Power-plot analysis
Section V: What could be next?
15. Advanced EPR
15.1. Quantitative dipolar interactions
15.2. Multi-frequency EPR
15.3. High-field/high-frequency EPR
15.4. Broadband EPR
15.5. Pulsed EPR
15.6. ENDOR
15.7. ESEEM
15.8. Variants ((P)ELDOR; DEER)
1. Introduction: The Elementary EPR of Spin Adducts
1.1. Meet the spin trap
1.2. Radical EPR spectroscopy
1.3. Hyperfine interaction
1.4. Practical spin-trap EPR
1.5. Sample preparation and handling
1.6. Simulation of spin-trap EPR data
2. A Guided Tour Along the Features of a Typical EPR Experiment
2.1. The planning phase
2.2. Sample properties
2.3. Preparation for the spectroscopy
2.4. Operation of the spectrometer
2.5. Analysis and interpretation
2.6. Possible next steps
Section II: In the EPR Lab
3. Preparing the Spectrometer for Operation
3.1. Basic safety issues
3.2. Preparing the spectrometer station
3.3. Field modulation
3.4. Calibrating the modulation
4. Tuning and Running the Spectrometer
4.1. Choice of the frequency
4.2. Tuning the dip
4.3. What is a microwave bridge?
4.4. Noise damping with an RC filter
4.5. Signal averaging
5. Sample Specifications and Sample Handling
5.1. Samples and reactants
5.2. Forms of sample purity and their adjustments
5.3. Paramagnetic purity of complex systems
5.4. Samples from titrations of pH, time, Em
Section III: Tools for Analysis
6. Anisotropy and the Powder Pattern
6.1. Anisotropy
6.2. Walk over the unit sphere
6.3. Powder patterns
6.4. Alternative walks
6.5. Anisotropy in low-symmetry systems
7. The Spin Hamiltonian
7.1. The purpose of a spin Hamiltonian?
7.2. The simplest possible spin Hamiltonian
7.3. The powder pattern of a Zeeman interaction
7.4. Energy matrices of greater dimensionality
7.5. Example: Cu (II)
7.6. Transition probability
8. Interpretation of the g Value
8.1. Spin-orbit coupling
8.2. Axial example of g value shifts from SO coupling: 3d9
8.3. Rhombic example of g value shifts from SO coupling: low- spin 3d5
8.4. g Values of molecular metal clusters
9. Line Shapes and Linewidths
9.1. The basic shapes: Gaussian and Lorentzian
9.2. The role of temperature
9.3. Sources of linewidths
9.4. g Strain and its misinterpretation
9.5. Derived line shapes from indirect distributions
Section IV: Specific Problems
10. Hyperfine interactions
10.1. Central hyperfine interaction
10.2. Quadrupole interaction
10.3. Super-hyperfine interaction
10.4. Isotope enrichment effects
10.5. Tuning of hyperfine strength with frequency
10.6. Higher-order effects
10.7. Low-symmetry effects
11. High-Spin Systems
11.1. S = 1, S = n/2, S = n
11.2. Weak, intermediate, and strong field
11.3. Triplets
11.4. Boltzmann distribution over sublevels
11.5. Rhombograms and rhombospectra
11.6. Integer spins
12. Spectrum Simulation
12.1. Objectives of spectral simulations
12.2. Perturbation approach versus numerical diagonalization
12.3. Choice of platform (and program overview)
12.4. Optimization of the unit walk
12.5. Choice of language(s); choice of GUI
12.6. Code-optimization strategies
13. Quantification or Spin Counting
13.1. The external standard
13.2. Double integration
13.3. Incomplete spectra
13.4. Multi-component spectra
13.5. High-spin systems
14. Relaxation and Power Saturation
14.1. Spin-lattice relaxation mechanisms
14.2. Dependence on magnetic field and temperature
14.3. Partial saturation of inhomogeneous lines
14.4. Power-plot analysis
Section V: What could be next?
15. Advanced EPR
15.1. Quantitative dipolar interactions
15.2. Multi-frequency EPR
15.3. High-field/high-frequency EPR
15.4. Broadband EPR
15.5. Pulsed EPR
15.6. ENDOR
15.7. ESEEM
15.8. Variants ((P)ELDOR; DEER)
Product details
Product details
- Edition: 1
- Latest edition
- Published: March 1, 2027
- Language: English
About the author
About the author
WH
Wilfred R. Hagen
Wilfred R. Hagen is an Emeritus Professor of Enzymology at Delft University of Technology, the Netherlands. He was previously Professor of Bioinorganic Chemistry at Wageningen University and Research and Professor of Physical Chemistry at Radboud University Nijmegen. He received a PhD from the University of Amsterdam in 1982 in biochemistry. His research focusses on structure and function of metalloproteins and on the theory and implementation of multi-frequency EPR spectroscopy, on which he published some 230 research papers and reviews (ORCID 0000-0002-1609-6671). He was the first recipient (1994) of the European Medal for Bioinorganic Chemistry. He has taught extensively for many years on EPR spectroscopy in International Advanced Courses.
Affiliations and expertise
Wilfred R. Hagen, Department of Biotechnology, Delft University of Technology, The Netherlands