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Table of Contents
Preface
About the authors
1. Introduction
1.1 The utility of NMR
1.2 A preview of solid-state NMR spectra
1.3 The solid state
1.4 Polymorphism, solvates, co-crystals & host:guest systems
1.5 NMR of solids & the periodic table
2. Basic NMR concepts for solids
2.1 Nuclear spin magnetization
2.2 Tensors
2.3 Shielding
2.4 Indirect coupling
2.5 Dipolar coupling
2.6 Quadrupolar coupling
2.7 Magic-angle spinning
2.8 Relaxation
3. Spin-1/2 nuclei: a practical guide
3.1 Introduction
3.2 The vector model & the rotating frame of reference
3.3 The components of an NMR experiment
3.4 Cross polarization
3.5 High-resolution spectra from 1H (& 19F)
4. Quantum mechanics of solid-state NMR
4.1 Introduction
4.2 The Hamiltonians of NMR
4.3 The density matrix
4.4 Density operator treatments of simple NMR experiments
4.5 The density matrix for coupled spins
4.6 Euler angles & spherical tensors
4.7 Additional analytical tools
5. Going further with spin-1/2 solid-state NMR
5.1 Introduction
5.2 Linewidths in solid-state NMR
5.3 Exploiting indirect (J) couplings in solids
5.4 Spectral correlation experiments
5.5 Homonuclear decoupling
5.6 Using correlation experiments for spectral assignment
5.7 Further applications
6. Quadrupolar nuclei
6.1 Introduction
6.2 Characteristics of first-order quadrupolar spectra
6.3 First-order energy levels & spectra
6.4 Second-order zero-asymmetry cases
6.5 Spectra for cases with non-zero asymmetry: central transition
6.6 Recording one-dimensional spectra of quadrupolar nuclei
6.7 Manipulating the quadrupolar effect
6.8 Spectra for integral spins
7. Relaxation, exchange & quantitation
7.1 Introduction
7.2 Relaxation
7.3 Exchange
7.4 Quantitative NMR
7.5 Paramagnetic systems
8. Analysis & interpretation
8.1 Introduction
8.2 Quantitative measurement of anisotropies
8.3 Measurement of dipolar couplings
8.4 Quantifying indirect (J) couplings
8.5 Tensor interplay
8.6 Effects of quadrupolar nuclei on spin-1/2 spectra
8.7 Quantifying relationships between tensors
8.8 NMR crystallography
Appendices
A. The spin properties of spin-1/2 nuclides
B. The spin properties of quadrupolar nuclides
C. Liouville space, relaxation & exchange
C.1 Introduction to Liouville space
C.2 Application to relaxation
C.3 Application to chemical exchange
D. Introduction to solid-state NMR simulation
D.1 Specifying the spin system
D.2 Specifying the powder sampling
D.3 Specifying the pulse sequence
D.4 Efficiency of calculation
Index.
About the authors
1. Introduction
1.1 The utility of NMR
1.2 A preview of solid-state NMR spectra
1.3 The solid state
1.4 Polymorphism, solvates, co-crystals & host:guest systems
1.5 NMR of solids & the periodic table
2. Basic NMR concepts for solids
2.1 Nuclear spin magnetization
2.2 Tensors
2.3 Shielding
2.4 Indirect coupling
2.5 Dipolar coupling
2.6 Quadrupolar coupling
2.7 Magic-angle spinning
2.8 Relaxation
3. Spin-1/2 nuclei: a practical guide
3.1 Introduction
3.2 The vector model & the rotating frame of reference
3.3 The components of an NMR experiment
3.4 Cross polarization
3.5 High-resolution spectra from 1H (& 19F)
4. Quantum mechanics of solid-state NMR
4.1 Introduction
4.2 The Hamiltonians of NMR
4.3 The density matrix
4.4 Density operator treatments of simple NMR experiments
4.5 The density matrix for coupled spins
4.6 Euler angles & spherical tensors
4.7 Additional analytical tools
5. Going further with spin-1/2 solid-state NMR
5.1 Introduction
5.2 Linewidths in solid-state NMR
5.3 Exploiting indirect (J) couplings in solids
5.4 Spectral correlation experiments
5.5 Homonuclear decoupling
5.6 Using correlation experiments for spectral assignment
5.7 Further applications
6. Quadrupolar nuclei
6.1 Introduction
6.2 Characteristics of first-order quadrupolar spectra
6.3 First-order energy levels & spectra
6.4 Second-order zero-asymmetry cases
6.5 Spectra for cases with non-zero asymmetry: central transition
6.6 Recording one-dimensional spectra of quadrupolar nuclei
6.7 Manipulating the quadrupolar effect
6.8 Spectra for integral spins
7. Relaxation, exchange & quantitation
7.1 Introduction
7.2 Relaxation
7.3 Exchange
7.4 Quantitative NMR
7.5 Paramagnetic systems
8. Analysis & interpretation
8.1 Introduction
8.2 Quantitative measurement of anisotropies
8.3 Measurement of dipolar couplings
8.4 Quantifying indirect (J) couplings
8.5 Tensor interplay
8.6 Effects of quadrupolar nuclei on spin-1/2 spectra
8.7 Quantifying relationships between tensors
8.8 NMR crystallography
Appendices
A. The spin properties of spin-1/2 nuclides
B. The spin properties of quadrupolar nuclides
C. Liouville space, relaxation & exchange
C.1 Introduction to Liouville space
C.2 Application to relaxation
C.3 Application to chemical exchange
D. Introduction to solid-state NMR simulation
D.1 Specifying the spin system
D.2 Specifying the powder sampling
D.3 Specifying the pulse sequence
D.4 Efficiency of calculation
Index.