Nuclear Magnetic Resonance

Name: Nuclear Magnetic Resonance | Volume 15
Brand: Royal Society of Chemistry
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Volume 15

G. A. Webb(Editor)

Royal Society of Chemistry (Publisher)

1st Edition

Published on 31. October 2007

515 pages

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978-1-84755-371-3 (ISBN)

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Nuclear Magnetic Resonance
Contents
CHAPTER 1 Theoretical and Physical Aspects of Nuclear Shielding
1 Theoretical Aspects of Nuclear Shielding
A. Ab Initio Calculations
B. Semi-empirical Calculations
2 Physical Aspects of Nuclear Shielding
A. Anisotropy of the Shielding Tensor
B. The Effects of Rotation and Vibration
C. Isotope Shifts
D. Intermolecular Effects
E. Absolute Shielding Scales
References
CHAPTER 2 Applications of Nuclear Shielding
1 Introduction
A. Shielding Scales
B. Computer-assisted Structural Assignment
C. Diastereotopic Nuclear Shielding Non-equivalence
D. Isotope Effects on Nuclear Shielding
2 Transmission of Effects within Molecules
A. Introduction
B. Chemical Shift Calculations
C. Substituent Effects in General including Inductive Resonance Effects
D. Van der Waals and Electrical Field Effects
E. Ring Current Effects
F. Hydrogen Bonding
3 Shielding of Particular Nuclei
A. Introduction
B. Hydrogen Shieldings
C. Lithium Shielding
D. Boron Shieldings
E. Carbon Shieldings
F. Nitrogen Shieldings
G. Oxygen Shieldings
H. Fluorine Shieldings
I. Phosphorus Shieldings
J. Other Nuclei
Group IA
Group IB
Group IIA
Group IIB
Group IIIA
Group IIIB
Group IVA
Group IVB
Group VA
Group VB
Group VIA
Group VIB
Group VIIA
Group VIIB
Group VIII
References
CHAPTER 3 Theoretical Aspects of Spin - Spin Couplings
1 Introduction
2 Theory and Computational Methods
3 Calculations of Couplings in Model Compounds
4 Empirical Correlations
A. Proton - Proton Couplings
B. Proton - Other Nucleus Couplings
C. Couplings involving Group IV Elements
D. Other Nuclei
References
CHAPTER 4 Applications of Spin - Spin Couplings
1 Introduction
2 Coupling of Directly Bonded Nuclei, 1J
2.1 Coupling to Hydrogen
2.1.1 Boron
2.1.2 Carbon
2.1.3 Silicon
2.1.4 Nitrogen and Phosphorus
2.1.5 Metals
2.2 Coupling to Boron
2.3 Coupling to Elements of Group IV
2.3.1 Carbon
2.3.2 Nitrogen
2.3.3 Phosphorus
2.3.4 Selenium and Tellurium
2.3.5 Metals
2.3.6 Fluorine
2.4 Coupling to Nitrogen and Phosphorus
2.4.1 Nitrogen and Phosphorus
2.4.2 Oxygen and Selenium
2.4.3 Metals
2.4.4 Fluorine
2.5 Miscellaneous Couplings
3 Coupling over Two Bonds, 2J
3.1 Geminal Proton Coupling
3.2 Coupling of Protons to Other Nuclei
3.2.1 Elements of Group IV
3.2.2 Nitrogen and Phosphorus
3.2.3 Sulphur, Selenium, and Tellurium
3.2.4 Metals and Fluorine
3.3 Coupling to Boron
3.4 Coupling to Carbon and Tin
3.4.1 Carbon and Tin
3.4.2 Nitrogen and Phosphorus
3.4.3 Fluorine
3.5 Coupling to Nitrogen and Phosphorus
3.5.1 Nitrogen and Phosphorus
3.5.2 Metals
3.5.3 Fluorine
3.6 Geminal Fluorine Coupling
3.7 Miscellaneous Couplings
4 Coupling over Three Bonds, 3J
4.1 Coupling between Protons
4.2 Coupling of Protons to Other Elements
4.2.1 Elements of Group IV
4.2.2 Nitrogen and Phosphorus
4.2.3 Selenium, Metals, and Fluorine
4.3 Coupling to Elements of Group IV
4.3.1 Carbon and Tin
4.3.2 Phosphorus
4.3.3 Selenium, Metals, and Fluorine
4.4 Coupling to Phosphorus
4.4.1 Phosphorus and Metals
4.5 Other Couplings
5 Long-range Couplings
5.1 Interproton Couplings
5.2 Coupling of Protons with Other Nuclei
5.3 Other Long-range Couplings
References
CHAPTER 5 Nuclear Spin Relaxation in Liquids
1 Introduction
2 Theoretical and Physical Aspects of Nuclear Spin Relaxation
A. Relaxation in Coupled Spin Systems
B. Molecular Re-orientation
C. Internal Motions
D. Relaxation by Intermolecular DD Interaction
E. Relaxation in Presence of Paramagnetic Ions
F. QF Relaxing Ionic Nuclei
G. Chemical Exchange
3 Relaxation of Less-common Nuclei
(i) Group IA
(ii) Group IIA
(iii) Group IIIA
(iv) Group IVA
(v) Group VA
(vi) Group VIA
(vii) Group VIIA
(viii) Group VIIIA
(ix) Transition Metals
4 Applications of Nuclear Spin Relaxation
A. Rotational Motions in Pure Liquids and in Solutions of Non-electrolytes
B. Molecular Association Studies
C. Electrolyte Solutions
D. Transition Metal Complexes
E. Complexes of Alkali and Alkaline Earth Metal Ions
5 Self Diffusion Measurements by the Spin - Echo Technique
References
CHAPTER 6 Solid State N.M.R.
1 Introduction
2 High Resolution N.M.R. of Solids
2.1 Techniques
2.2 General Applications
2.3 Macromolecules
2.4 Amino Acids, Polypeptides, Simple Sugars and Polysaccharides
2.5 Biological Samples
2.6 Fossil Fuels, Woods and Soils
2.7 27Al, 29Si N.M.R., Silicates and Aluminosilicates
3 Polymeric Systems
4 Solidified Gases and Liquids
5 Hydrogen and Hydrides
6 Hydrates
7 Organic Solids
8 Inorganic Solids
9 Clathrates and Intercalated Compounds
10 Tunneling
11 Doped Systems
12 Glasses
References
CHAPTER 7 Natural Macromolecules
1 Introduction
2 Linear and Cyclic Peptides
3 Polypeptides and Proteins
3.1 Methods
3.2 Applications
4 Oligo- and Poly-nucleotides
5 Oligo- and Poly-saccharides
References
CHAPTER 8 Synthetic Macromolecules
1 Introduction
2 Books, Reviews and Conference Reports
3 Structural Studies of Polymers in Solution
A. Tacticity of Homopolymers
B. Geometrical Isomerism
C. End Groups, Kinetics and Mechanism
D. Chain Branching
E. Copolymers
F. Polycondensates and Resins
G. Chemical Modification and Degradation
4 Conformational and Relaxtion Studies of Polymers in Solution
A. Conformation and Interactions
B. Relaxation
5 Bulk Polymers
A. High Resolution Structural Studies
B. Dynamic Studies
C. Broadline Studies
D. Gels and Liquid Crystals
References
CHAPTER 9 Conformational Analysis
1 Introduction
2 Techniques and Methodology
3 Atomic Inversion and Permutation Processes
4 Bond Rotation Studies
A. C-C Bonds
(i) Sp3 - sp3 Bonds
(ii) Sp2 - sp3 Bonds
(iii) Sp2 - sp2 Bonds
B. C-N Bonds
C. C-O Bonds
D. Other Elements Bound to Carbon
E. Rotation about Other Bonds
5 Dynamic Processes in Organometallic Compounds
6 Five-membered Rings
7 Six-membered Rings
A. Carbocyclic Rings
B. Oxygen-containing Rings
C. Nitrogen-containing Rings
D. Sulphur-containing Rings
E. Phosphorus-containing Rings
F. Other Rings
8 Seven-membered Rings
9 Eight-membered and Larger Rings
10 Bicyclic Compounds
11 Polycyclic Compounds
References
CHAPTER 10 N.M.R. of Living Systems
1 Introduction
2 N.M.R. Imaging
2.1 Basic Principles and Safety Aspects
2.2 New Techniques and Instrumentation
2.3 Other Nuclei and Chemical Shift Imaging
2.4 Contrast Agents
2.5 Medical Applications of N.M.R. Imaging
2.5.1 Animal Studies
2.5.2 Head Studies
2.5.3 Whole Body Studies - Thoracic
2.5.4 Whole Body Studies - Abdominal and Pelvic
3 High Resolution N.M.R.
3.1 Introduction and Methods
3.2 Cells
3.3 Tissue Studies
3.3.1 Brain
3.3.2 Epithelial Tissues
3.3.3 Eye
3.3.4 Heart
3.3.5 Kidney
3.3.6 Liver
3.3.7 Muscle - Skeletal
3.3.8 Muscle - Smooth
3.3.9 Secretory Glands
3.3.10 Tumours
3.4 Clinical Applications
3.5 Plants
3.6 Water
References
CHAPTER 11 Oriented Molecules
1 Introduction
2 Studies in Cholesteric Liquid Crystals
3 Studies on Discotic Systems
4 Solvent Effects on Molecular Structure
5 Multiple Quantum Spectroscopy
6 Quadrupole Coupling Constants
7 Chemical Shielding Anisotropy
8 Molecular Orientation
9 Nuclear Spin Relaxation
10 Molecular Structure
References
CHAPTER 12 Heterogeneous Systems
1 Introduction
1.1 General Remarks
1.2 Theoretical Progress
1.3 Apparatus/Techniques
2 Adsorbed/Absorbed Systems
2.1 Graphite
2.2 Graphite Intercalation Compounds
2.3 Other 2D Materials
2.4 Zeolites
2.4.1 Diffusion Studies
2.4.2 Adsorption Studies
2.5 Alumina
2.6 Silica
2.7 Clays
2.8 Metals
2.9 Polymers
3 Solid State Studies
3.1 Glasses/Ionic Conductors
3.2 Films
3.3 General Solid State Studies
4 Geological and Earth Studies
4.1 Coal
4.2 Coal Extracts
4.3 Wood
4.4 Humic Materials
References
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