Multifrequency electron paramagnetic resonance: data and techniques
Saved in:
| Main Author: | |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Weinheim
Wiley-VCH
2014
|
| Subjects: | |
| Online Access: | Klappentext Inhaltsverzeichnis |
| Physical Description: | XII, 302 S. Ill., graph. Darst. |
| ISBN: | 9783527412228 9783527672431 |
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| 245 | 1 | 0 | |a Multifrequency electron paramagnetic resonance |b data and techniques |c ed. by Sushil K. Misra |
| 264 | 1 | |a Weinheim |b Wiley-VCH |c 2014 | |
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| adam_text | Contents
я
Preface
ЇХ
List of Contributors XI
1
Introduction
1
Sushil K. Misra
2
Rapid-Scan Electron Paramagnetic Resonance
3
Sandra S. Eaton, Richard W.
Quine,,
Mark Tseitlin, Deborah G. Mitchell,
George A. Rinard, and Gareth R. Eaton
2.1
Introduction
3
2.1.1
Historical Background and Literature Survey
4
2.1.2
Comparison of CW, Rapid-Scan, and Pulsed EPR: Advantages of
Rapid Scan
6
2.1.3
Scan Types
11
2.1.4
Digital Rapid Scan
11
2.1.5
Absolute Signal Quantisation
13
2.1.6
Signal-to-Noise Advantage of Rapid Scan Relative to CW
14
2.2
Post-Acquisition Treatment of Rapid-Scan Signals
17
2.2.1
Deconvolution of Linear Scans
17
2.2.2
Deconvolution of Sinusoidal Scans
19
2.2.3
Low-Pass Filtering
20
2.3
Simulation of Rapid-Scan Spectra
20
2.4
Scan Coils
21
2.4.1
literature Background on Scan Coils
21
2.4.2
Bruker Modulation Coils
22
2.4.3
Coils for Rapid Scans
22
2.4.4
Magnet Considerations
23
2.5
Design of Scan Driver
25
2.5.1
Linear Scan Drivers
25
2.5.2
Sinusoidal Scan Drivers
27
2.5.3
Integration into a Spectrometer System
28
2.6
Use of ENDOR-Type Coils and RF Amplifiers for Very Fast Scans
30
VI
I Contents
2.7
Resonator Design
32
2.7
Λ
X-Band
33
2.7.2
VHF (250 MHz)
35
2.8
Background Signals
37
2.8.1
Cause
37
2.8.2
Methods of Removing Background Signals from Rapid-Scan
Spectra
37
2.8.2.1
Linear (Triangular) Scans
37
2.8.2.2
Sinusoidal Scans
40
2.9
Bridge Design
41
2.10
Selection of Acquisition Parameters
42
2.10.1
Resonator Bandwidth
43
2.10.2
Signal Bandwidth
43
2.10.3
Microwave Power
45
2.10.4
Electron-Spin Relaxation Times
45
2.10.5
Selection of Scan Rate
45
2.11
Multifrequency Rapid Scan
46
2.12
Examples of Applications
46
2.12.1
Comparison of Rapid-Scan Spectra Obtained with a Dielectric
Resonator and Either Standard Modulation Coils or Larger Scan
Coils
46
2.12.1.1
Standard Modulation Coils
47
2.12.1.2
Larger External Coils
48
2.12.1.3
Results of Comparison
49
2.12.2
S/N for Nitroxide Radicals
49
2.12.3
Estimation of Nitroxide T2 at
250
MHz
50
2.12.4
Spin-Trapped Radicals
52
2.12.5
Improved S/N for Species with Long Electron-Spin Relaxation
Times
54
2.12.5.1
E Center in Irradiated Fused Quartz
54
2.12.5.2
Amorphous Hydrogenated Silicon (a-Si:H)
56
2.12.5.3
N@C60
57
2.12.5.4
Single Substitutional Nitrogen (N2°) in Diamond
58
2.12.6
Imaging
59
2.13
Extension of the Rapid-Scan Technology to Scans That Are Not Fast
Relative to Relaxation Times
62
2.14
Summary
63
Acknowledgments
64
References
64
3
Computational Modeling and Least-Squares Fitting of EPR Spectra
69
Stefan StoU
3.1
Introduction
69
3.2
Software
70
3.2.1
EasySpin
70
ConUnts
VII
3.2.2
Other Software
71
3.3
General Principles
72
3.3.1
Spin Physics
72
3.3.1.1
Interactions
72
3.3.1.2
Quantum States and Spaces
75
3.3.1.3
Equations of Motion
76
3.3.2
Other Aspects
77
3.3.2.1
Isotopologues
77
3.3.2.2
Field Modulation for cwEPR
78
3.3.2.3
Frames and Orientations
78
3.4
Static cw EPR Spectra
80
3.4.1
Crystals and Powders
80
3.4.1.1
Crystals SO
3.4.1.2
Partially Ordered Samples
81
3.4.1.3
Disordered Systems and Spherical Grids
81
3.4.2
Field-Swept Spectra
84
3.4.2.1
Eigenfield Method
84
3.4.2.2
Matrix Diagonalization
85
3.4.2.3
Perturbation Theory
87
3.4.2.4
Hybrid Models
88
3.4.3
Transition Intensities
88
3.4.4
Isotropie
Systems
89
3.4.5
line Broadenings
90
3.4.5.1
Dipolar Broadening
91
3.4.5.2
Strains
91
3.4.5.3
Iineshapes
92
ЗАЉ
Frequency-Sweep Spectra
93
3.4.7
Simulation Artifacts
93
3.5
Dynamic cw EPR Spectra
94
3.5.1
Rotational Diffusion
94
3.5.1.1
Fast-Motion limit
94
3.5.1.2
Fast-Tumbling Regime
95
3.5.1.3
Slow-Tumbling Regime
95
3.5.2
Chemical Exchange
98
3.6
Pulse EPR Spectra
99
3.6.1
Bloch Equations
100
3.6.2
Hubert
space
100
3.6.2.1
Scalar Equations
100
3.6.2.2
Matrix Equations
101
3.6.3
liouville Space
104
3.7
Pulse and cw ENDOR Spectra
104
3.7.1
Transition Frequencies
105
3.7.2
Intensities
105
3.7.3
Broadenings
107
3.8
Pulse DEER Spectra
108
VIII Contents
3.9
Least-Squares Fitting
108
3.9.1
Objective Function
109
3.9.2
Search Range and Starting Point
110
3.9.3
Fitting Algorithms
110
3.9.3.1
Local Methods
110
3.9.3.2
Global Methods 111
3.9.4
Multicomponent and Multispectral Fits
112
3.9.5
Limits of Automatic Fitting
112
3.9.6
Error Analysis
113
3.10
Various Topics
113
3.10.1
Spin Quantitation
113
3.10.2
Smoothing and Filtering
114
3.10.3
Data Formats
114
3.11
Outlook
115
References
116
4
Multifrequency Transition Ion Data Tabulation
139
Sushil K. Misra, Sean Monaieff, and Stefan Diehl
4.1
Introduction
139
4.2
Listing of Spin-Hamiltonian Parameters
142
References
270
5
Compilation of Hyperfine Splittings and ¿-Factors for Aminoxyl
(Nitroxide) Radicals
287
Lawrence J.
Beniner
5.1
Introduction
287
5.2
Tabulations
288
5.3
Concluding Remarks
288
References
294
Index
297
I his handbook is aimed to deliver an up-to-date account of some of the recently developed
experimentai
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 pub¬
lished 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
1976
by Larry Berliner, a world expert on spin labeling, helping to identify and inter¬
pret 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 Careth Eaton, and a thorough review of computational modeling in EPR by
Stefan Stoll, author of Easy Spin.
From the contents:
•
Introduction
•
Rapid-Scan Electron Paramagnetic Resonance
•
Computational Modeling and Least-Squares Fitting of EPR Spectra
•
Multifrequency Transition Ion Data Tabulation
•
Compilation of Hyperfine
Splittings
and g-Factors for Aminoxyl (Nitroxide) Radicals
Sushil Misra is a Full Professor in the Physics
Department
of
Concordia
Uni¬
versity, Montreal, Canada. He is well known internationally for his extensive
experimental and theoretical research in the ana of electron paramagnetic/spin
resonance (EPR/ESR)for the last
40
years. Currently, he collaborates at the
Advanced Center for Electron Spin Research technology (ACERT) at Cornell
University. As a specialist, he is frequently invited to international conferences,
and was one of the early EPR researchers invited by the People s Republic of
China as a foreign expert in
1985.
He has been serving as an executive of the
International EPR/ESR Society for the last five years.
Furthering
by Sushil
M ara;
Muttifřequency
Electron
Paramagnetic Resonance
Auflage
April
2011
179,-
Euro
1022 Seiten,
Hardcover
415 Abb., 48
Tab.
ISBN
978-3-527-40779-8
Wiley-VCH, Berlin
|
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| institution | BVB |
| isbn | 9783527412228 9783527672431 |
| language | English |
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| spelling | Misra, Sushil K. Verfasser (DE-588)1011536374 aut Multifrequency electron paramagnetic resonance data and techniques ed. by Sushil K. Misra Weinheim Wiley-VCH 2014 XII, 302 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Elektronenspinresonanzspektroskopie (DE-588)4151888-3 gnd rswk-swf (DE-588)4143413-4 Aufsatzsammlung gnd-content Elektronenspinresonanzspektroskopie (DE-588)4151888-3 s DE-604 Erscheint auch als Online-Ausgabe, EPUB 978-3-527-67245-5 Erscheint auch als Online-Ausgabe, MOBI 978-3-527-67246-2 Erscheint auch als Online-Ausgabe, PDF 978-3-527-67244-8 Digitalisierung UB Bayreuth - ADAM Catalogue Enrichment application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027084694&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Klappentext Digitalisierung UB Bayreuth - ADAM Catalogue Enrichment application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027084694&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Misra, Sushil K. Multifrequency electron paramagnetic resonance data and techniques Elektronenspinresonanzspektroskopie (DE-588)4151888-3 gnd |
| subject_GND | (DE-588)4151888-3 (DE-588)4143413-4 |
| title | Multifrequency electron paramagnetic resonance data and techniques |
| title_auth | Multifrequency electron paramagnetic resonance data and techniques |
| title_exact_search | Multifrequency electron paramagnetic resonance data and techniques |
| title_full | Multifrequency electron paramagnetic resonance data and techniques ed. by Sushil K. Misra |
| title_fullStr | Multifrequency electron paramagnetic resonance data and techniques ed. by Sushil K. Misra |
| title_full_unstemmed | Multifrequency electron paramagnetic resonance data and techniques ed. by Sushil K. Misra |
| title_short | Multifrequency electron paramagnetic resonance |
| title_sort | multifrequency electron paramagnetic resonance data and techniques |
| title_sub | data and techniques |
| topic | Elektronenspinresonanzspektroskopie (DE-588)4151888-3 gnd |
| topic_facet | Elektronenspinresonanzspektroskopie Aufsatzsammlung |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027084694&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027084694&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA |
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