Note: Nuclear Magnetic Resonance -- Contents -- Chapter 1 Nuclear Shielding -- 1 Introduction -- 2 Basic Aspects of Nuclear Shielding -- A General Theory -- B Basic Physical Aspects -- 3 Calculations of Nuclear Shielding -- 4 Transmission of Shielding Effects within Molecules -- A Introduction -- B Inductive, Resonance, and General Substituent Effects -- C Electric Field Effects -- D Magnetic Anisotropy Effects -- E Ring-current Effects -- F van der Waals and Steric Effects -- G Intramolecular Hydrogen Bonding -- H Isotope Effects -- I Chemical Shift Anisotropy -- 5 Shieldings of Particular Nuclear Species -- A Introduction -- B Carbon Chemical Shifts -- C Fluorine Chemical Shifts -- D Phosphorus Chemical Shifts -- E Chemical Shifts of other Nuclei -- Chapter 2 Nuclear Spin-Spin Coupling -- 1 Introduction -- 2 Theoretical Work -- A Ab Initio Calculations -- B Semi-Empirical Calculations (Excluding Those on π-Electron Systems) -- C Semi-Empirical Calculations on π-Electron Systems -- D Calculations of Through-space Coupling -- E Other Topics of Theoretical Interest -- 3 Coupling of Directly-bonded Nuclei -- A Coupling to Hydrogen -- B Coupling to Elements of Groups IIIB and IVB -- C Coupling to Elements of Group VB -- D Coupling to Elements of Group VIB -- E Coupling to Elements of Group VIIB -- F Miscellaneous One-bond Couplings -- 4 Coupling between Nuclei Separated by Two Chemical Bonds, 2J -- A Geminal Proton-Proton Coupling -- B Two-bond Coupling of Other Nuclei to Protons -- C Two-bond Coupling to Carbon [Excluding 2J(13CXlH)] -- D Two-bond Coupling to Group VB Atoms -- E 2J(31PC19F) -- F Two-bond (19F,19F) Coupling -- G Miscellaneous Two-bond Couplings -- 5 Coupling between Nuclei Separated by Three Chemical Bonds, 3J -- A Vicinal Proton-Proton Coupling via Carbon, 2J(1HCC1H) -- B Three-bond Coupling of Protons via Other Atoms. , C Three-bond Coupling of Other Nuclei to Protons -- D Three-bond Coupling to Carbon -- E Three-bond Coupling to Phosphorus -- F Three-bond Coupling to Fluorine -- 6 Coupling between Nuclei Separated by Four Chemical Bonds, 4J -- A Proton-Proton Coupling via Carbon, 4J(1HCCC1H) -- B Four-bond Coupling of Protons via Other Atoms -- C Four-bond Coupling of Other Nuclei to Protons -- D Four-bond Coupling to Carbon -- E Four-bond Coupling to Fluorine -- 7 Coupling between Nuclei Separated by Five Chemical Bonds, 5J -- A Proton-Proton Coupling via Carbon, 5J(1HCCCC1H) -- B Five-bond Proton-Proton Coupling via Other Atoms -- C Five-bond Coupling of Other Nuclei to Protons -- D Five-bond Coupling to Carbon -- E Five-bond Coupling to Fluorine -- 8 Coupling between Nuclei Separated by Six Chemical Bonds, 6J -- 9 Coupling between Nuclei Separated by Seven Chemical Bonds, 7J -- 10 Coupling in π-Electron Systems -- A Homoaromatic Molecules -- B Heterocyclic Molecules -- C Annulenes -- D Linear Conjugated Systems -- 11 Through-space Coupling -- 12 Recent Experimental Advances -- Chapter 3 Nuclear Spin Relaxation in Fluids -- 1 Introduction -- 2 Theoretical Work -- 3 Relaxation Studies in Pure Liquids -- A Proton and Deuteron Relaxation -- B 13C Relaxation -- C Relaxation of Other Nuclei: 14N, 15N, 17O, 19F, 29Si, 77Se -- D Studies of Several Resonant Nuclei: 2H, 13C, 14N, 15N, ,19F -- 4 Relaxation Studies in Liquid Mixtures of Non-electrolytes -- A Proton and Deuteron Relaxation -- B 13C Relaxation -- C Studies of Several Resonant Nuclei: !H, 2H, 13C, 14N -- 5 Relaxation Studies in Electrolyte Solutions -- A Proton and Deuteron Relaxation -- B Relaxation of the Nuclei: 13C, 17O, 69Ga, 71Ga, 113Cd -- C Relaxation of Alkali-metal and Halogen Nuclei: 7Li, 23Na, 39K, 41K, 87Rb, 133Cs, 35C1, 79Br, 81Br -- 6 Relaxation Studies in Gas-Liquid Solutions. , 7 Relaxation Studies of Gases -- A Theoretical Work -- B Mono- and Di-atomic Gases -- C Polyatomic Gases -- Chapter 4 Experimental Techniques -- 1 Introduction -- 2 Diverse Applications of N.M.R. -- A General -- B Neutron Resonance and Diffraction -- C Image Formation by Zeugmatography -- 3 Temperature and Pressure Studies -- 4 Measurement of Relaxation Times -- A Systematic Errors -- B Quantization and Other Errors -- C Technique -- 5 Broad-line and Solid-state Spectroscopy -- 6 Instrumentation -- A Signal Processing -- B The Probe Area -- C The Transmitter -- D Modulation Control -- E Complete Spectrometers -- F Modification of Commercial Instruments -- 7 Miscellaneous -- Chapter 5 Spectral Analysis -- 1 Introduction -- 2 New Approaches to Known Spin Systems -- A [A]2X and ABX Systems -- B [AB]2 Systems. -- C The X-{A} indor Spectrum of the [AXn]2 Spin System -- D [[A]2Xn]2 and [ABXn]2 Spin Systems, with n = 1, 2 or 3 -- 3 More Examples of Known Spin Systems -- A Three-spin systems -- B Four-spin systems -- C Five-spin systems -- D Six-spin systems -- E Seven-spin systems -- F Eight-spin systems -- G Spin systems of nine nuclei or more -- 4 Conclusions -- Chapter 6 Bandshape Phenomena in Liquids -- 1 Introduction -- 2 General Theory -- 3 Exchange of Magnetic Sites -- A General Theory -- B Intramolecular Exchange Processes in Organic Molecules -- C Complex Rearrangements -- D Intermolecular Exchange Processes -- E Biochemical Applications -- 4 Relaxation Effects: Linewidths -- A Chemical Exchange Rates Determined by the Swift-Connick Approach -- B Linewidth Determinations in Paramagnetic Systems -- Chapter 7 Fourier Transform N.M.R. -- 1 Introduction -- 2 New Applications -- 3 Instrumentation -- A Multinuclear Spectrometers -- B Quadrature Phase Detection (QPD) -- C Solvent Elimination -- 4 Computer Simulation of Pulsed N.M.R. , A Multipulse Experiments -- B Diffusion and Field Gradient Effects -- 5 The Equivalence of Fourier and Continuous Wave Spectra -- 6 Correlation Spectroscopy -- 7 Hadamard Spectroscopy -- 8 Double Resonance in FT N.M.R. -- 9 The Measurement of Relaxation Times -- 10 Miscellaneous -- Chapter 8 Macromolecules -- 1 Introduction -- 2 Reviews -- 3 Synthetic Macromolecules -- A High-resolution 1H N.M.R. -- B Broadline N.M.R. -- C Spin-echo N.M.R. -- D 13C N.M.R. -- E Other Nuclei -- 4 Biological and Related Macromolecules -- A 1H N.M.R. of Synthetic Polypeptides -- B 1H N.M.R. of Proteins -- C 1H N.M.R. of Enzymes -- D 1H N.M.R. of Natural and Related Polypeptides and Polysaccharides -- E 1H N.M.R. of Polynucleotides -- F 13C N.M.R. -- G Other Nuclei -- 5 Small Molecules -- A 1H N.M.R.: Hydration -- B 1H N.M.R.: General Studies -- C 13C N.M.R. Studies -- D Other Nuclei -- Chapter 9 The Solid State -- 1 General Introduction -- 2 Half-integral Spins in Diamagnetic Solids -- A Introduction -- B Theoretical Aspects -- C Structural Studies (Broadline Techniques) -- D High Resolution in Solids -- E Motional Studies (Classical Regime) -- F Quantum Effects in Molecular Solids -- G N.M.R. Studies of Helium -- 3 Nuclei of Spin > -- 1/2 in Diamagnetic Solids -- A Introduction -- B 2H N.M.R. -- C The Halogen Nuclei -- D The Alkali-metal Nuclei -- E Transition-element Nuclei -- F Other Nuclei -- 4 Systems with Unpaired Electrons in the Absence of Magnetic Ordering -- A Non-metallic Paramagnetic Systems -- B Metals -- C Alloys and Intermetallic Systems -- D Hydrides -- E Semiconductors -- F One-dimensional Conductors -- 5 Ordered Magnetic Materials -- A Ferromagnetic Materials -- B Antiferromagnetic Materials -- C Ferrimagnetic Materials -- 6 New Techniques and Apparatus -- A Techniques -- B Data Analysis -- C Apparatus -- Chapter 10 Heterogeneous Systems. , 1 Introduction -- 2 Adsorption Studies -- A General -- B Cryogenic Studies -- C Zeolites -- 3 Polymers, Exchange Resins, and Gels -- 4 Protein Hydration -- 5 Cellular Systems -- 6 Membranes -- 7 Micellar Systems -- Chapter 11 Medium Effects on Chemical Shifts and Coupling Constants -- 1 Introduction -- 2 Non-specific Solvent Effects -- 3 Specific interactions with the Medium -- A General -- B Solvent Effects on Conformational Equilibria -- C The ASIS Effect -- D Hydrogen Bonding -- E Ionic Solutions -- F Micellar Systems -- 4 Shift Reagents -- A General -- B The Stoicheiometry of the Shift-reagent-Substrate Complex -- C Dipolar, Contact, and Complexation Shifts -- D Calculation of the Substrate-Shift Reagent Complex Geometry -- E Structural Assignments -- F Preferred Binding Sites -- Chapter 12 Oriented Molecules -- 1 Introduction -- 2 Structure Determination -- A Structures of Rigid Molecules -- B Corrections for Vibrational Motion -- C Molecules with Internal Motion -- 3 Determination of Indirect Couplings -- 4 Double-resonance Techniques -- 5 Order Parameters -- 6 Anisotropies in Indirect Couplings -- 7 Anisotropies in Chemical Shifts -- 8 Nuclear Quadrupole Coupling Constants -- Author Index.

Note: Nuclear Magnetic Resonance -- Contents -- Chapter 1 Nuclear Shielding -- 1 Introduction -- 2 Chemical Shift Scales -- 3 Basic Aspects of Nuclear Shielding -- A Magnetic Field-dependent Chemical Shifts -- B Developments in Theory -- 4 Calculations of Nuclear Shielding -- A Ab Initio Calculations -- B Semi-empirical Calculations -- 5 Transmissions of Shielding Effects within Molecules -- A Introduction -- B Inductive and Resonance Effects -- C Magnetic Anisotropy Effects -- D The Ring Current Effects -- E Electric Field Effects -- F Intramolecular Dispersion Forces -- G Steric Effects -- H Intramolecular Hydrogen-bonding -- I Isotope Shifts -- J Shielding Anisotropies -- 6 Shieldings of Particular Nuclear Species -- A Introduction -- B Proton Chemical Shifts -- C Carbon Chemical Shifts -- D Fluorine Chemical Shifts -- E Nitrogen Chemical Shifts -- F Chemical Shifts of Nuclei Other Than H, C, F, and N -- Chapter 2 Nuclear Spin-Spin Coupling -- 1 Introduction -- 2 Basic Theory -- A Ramsey's Equations -- B The Average Energy Approximation -- C Useful General Expressions -- D The Finite Perturbation Theory (FPT) -- E Coupling by π-Electrons -- F The Variation Method -- G SI Units -- 3 Recent Theoretical Work -- A Calculations on H2 or HD -- B Ab Initio Calculations of Coupling in Small Molecules -- C Semi-empirical Calculations -- D Theoretical Work on π-Electron Coupling -- E The Anisotropy of Electron-coupled Nuclear Spin Interactions -- F Solvent Effects on Coupling -- 4 Coupling of Directly Bonded Nuclei -- A Coupling between 13C and 1H -- B Coupling between 15N and 1H -- C Coupling between 31P and 1H -- D Coupling between 1H and Other Nuclei -- E 1J(13C13C)and 1J(13C14/15N) -- F Coupling between 13C and 31P -- G Coupling between 13C and 19F -- H 1J(13CM) where M is a Metal -- I Couplings to 19F, except 1J(19F31P) -- J Couplings between 31P and 19F. , K Other One-bond Couplings involving 31P -- 5 Coupling between Atoms Separated by Two Chemical Bonds, 2J -- A Geminal Proton-Proton Coupling across Carbon -- B Geminal Proton-Proton Coupling across Other Elements -- C 2J(13CCH) -- D Coupling of Other Elements to Hydrogen through Carbon -- E 2J(19FP19F) and 2J(19FPH) -- F 2J(19FM19F), where M is a Metal -- G 2J(19FC19F) -- H 2J(13CO31P) and 2J(13CC31P) -- I 2J(31PO31P) and 2J(31PS31P) -- J 2J(31PM31P), where M is a Metal -- K Other Two-bond Couplings -- 6 Coupling between Atoms Separated by Three Chemical Bonds, 3J -- A Coupling of Hydrogen Atoms through Two Carbon Atoms -- B 3J(HNCH) and 3J(HOCH) -- C 3J(13CCCH) -- D Coupling to Fluorine through Two Carbon Atoms. 3J(HCC19F), 3J(13CCC19F), and 3J(19FCC19F) -- E Three-bond Couplings involving 31P and 1H -- F Miscellaneous Three-bond Couplings -- 7 Coupling between Nuclei Separated by Four or More Chemical Bonds -- A Long-range Coupling between Protons -- Long-range H-H Coupling in Saturated Systems -- Long-range H-H Coupling in Unsaturated Systems -- B Long-range Couplings involving at least One Nucleus other than H -- Saturated Systems-Coupling between 1H and 19F -- Saturated Systems-Coupling between Other Nuclei -- Unsaturated Systems -- C 'Through-space' Coupling -- 8 Experimental Work of Significance for the Measurement or Interpretation of SpinSpin Coupling Constants -- A Multiple-resonance Experiments -- B Bandshape Analyses -- C Effects of Paramagnetic Materials -- D Other Experimental Techniques -- Chapter 3 Nuclear Spin Relaxation -- 1 Introduction -- 2 Nuclear Spin Relaxation in Gases -- A Introduction -- B Theoretical Developments -- C Diatomic Gases -- D Polyatomic Gases -- Pure Gases -- Stepped T1/ρ vs. ρ Plot -- CH4-O2 and CH4-NO Mixtures -- E Self-diffusion Measurements -- 3 Spin Relaxation in Liquids -- A Pure Liquids. , Molecular Rotation -- Studies of Anisotropic Rotation -- Relaxation by internal rotation of functional groups -- Relaxation in water -- Determination of nuclear quadrupole coupling constants -- Studies of Scalar Relaxation -- Relaxation in glasses and viscous liquids -- B Molecular Motion and Association in Mixtures of Liquids -- C Electrolyte Solutions -- Diamagnetic Solutions -- Paramagnetic Solutions -- D Studies of Critical Phenomena in Liquids -- E 13C Relaxation Studies -- F Methods for Selective Measurement of T1 and T2 -- 4 Spin-echo Experiments in Liquids -- A Self-diffusion Measurements -- B Spin-echo Studies of Fluid Flow -- C Carr-Purcell Spin-echo Experiments -- 5 Nuclear Spin Relaxation and Diffusion in Liquid Crystals -- A Thermotropic Liquid Crystals -- B Lyotropic Liquid Crystals -- 6 Spin Relaxation in Solids -- A N.M.R. Saturation in Solids -- B Nuclear Dipolar Relaxation -- C Relaxation by Rotational Motion -- D Spin-Lattice Relaxation by Spin-Rotational and Anisotropic Chemical Shielding Interactions -- E Spin-Lattice Relaxation due to Paramagnetic Impurities -- F Spin-Lattice Relaxation by Nuclear Quadrupole Interaction -- G Spin-Lattice Relaxation Time Measurements in Miscellaneous Solids -- Molecular Solids -- Ionic Solids -- Antiferromagnetic Solids -- Metallic Hydrides -- Hexagonal Ice -- Molecules Bound to Surfaces -- H Self-diffusion in Molecular Crystals -- I Ferroelectric Phase Transitions -- 7 Pulsed N.M.R. in Solids -- A Application of Multiple-pulse Experiments to Line-narrowing in Solids -- B Application of Multiple-pulse Experiments to the Study of Molecular Motion -- C Pulsed Double Nuclear Magnetic Resonance Experiments -- Chapter 4 Experimental Techniques -- 1 Introduction -- 2 The Magnet -- A Permanent Magnets -- B Electromagnets -- C Superconducting Magnets -- D Control of Homogeneity -- E Stability. , 3 Sensitivity -- 4 Frequency Generation -- A Single Resonance -- B Double Resonance -- Homonuclear -- Heteronuclear -- Noise -- Universal Shift Reference -- 5 The Probe -- A Single-coil Systems -- B Crossed-coil Systems -- C Double Resonance -- D Field-Frequency Lock -- E General Construction -- F Field Modulation -- G Variable-temperature Operation -- H Rapid Sample Spinning -- 6 The Preamplifier -- 7 The Receiver -- 8 Modulation Schemes -- 9 Computer Techniques -- 10 Pulsed Spectrometers -- 11 Measurement of Relaxation Times -- A Values of T1 -- C.W. Methods -- Pulse Methods -- B Values of T2 -- C.W. Methods -- Pulse Methods -- 12 Miscellaneous Topics -- A Stochastic Resonance -- B Fourier Difference Spectroscopy -- Chapter 5 Spectral Analysis -- 1 New Spin Systems Studied -- Analysis of N.M.R. Spectra of the Type [AMX]2 with J(XX') = 0 -- 2 New Methods of Tackling Known Spin Systems -- A Superoperator Direct Method Least-squares Analysis of N.M.R. Spectra -- B A Systematic Approach to the [AB]2, [AB]2MX, and Derived Systems -- C Use of Double Quantum Transitions -- Double Resonance: Perturbation of Double Quantum Transitions -- Effect of Double Irradiation (Tickling) of Single Quantum Transitions or Double Quantum Transitions in Systems Simplified by Double Resonance -- 3 Studies of Known Spin Systems -- A Systems involving Protons Only -- Aliphatic Systems -- Olefinic Systems -- Heterocyclic Systems -- Aromatic Systems -- B Compounds containing Fluorine -- 2,2'-, 3,3'-, and 4,4'-Dihalogenobiphenyl Compounds ABCD, ABCDX -- Pyridine Compounds -- Pentafluorophenol, (AM)2X -- Benzene, Naphthalene, Phenanthrene, and Biphenyl Compounds -- Tetrafluorodichlorocyclopropanes, [AX]2, A4 -- 1,1,2,2-Tetrafluoroethane [AMX]2 -- C Compounds containing Phosphorus -- Bis(dialkylphosphines) -- The [AMX18]2 System -- Tri-(3-furyl)phosphine, ABCX. , 1-Phospha-2,6-dioxacyclohexanes -- 1-Phospha-2,5-dioxa(diaza, dithia)cyclopentanes -- Bis-(5,5-dimethyl-1-phospha-2-oxo-6-thionocyclo-hexane) -- D Organometallic Compounds -- Triphenyl Group IV Element Lithium Compounds, [AB]2C -- Allenic Derivatives of Tin, Lead, and Mercury AB2X -- Cycloheptatrienyl Manganese Tricarbonyl Compounds, A[BCXY]2, ABCDEXYZ -- Aryl Derivatives of Mercury, [AB]2C, [AB]2X, [AB]2 -- 4 General Comments -- Books and Reviews -- Computer Programs -- Chapter 6 Bandshape Phenomena for Fluids -- 1 General Introduction -- A Current Developments -- B Coverage of the Report -- C Nomenclature, Notation, and Units -- D Reviews and Symposia -- 2 Experimental Features -- Miscellaneous -- 3 Exchange of Magnetic Sites -- A Theoretical Work -- B Examples of Intramolecular Exchange -- Hindered Internal Rotation -- Nitrogen Inversion -- Ring Inversion -- Phosphorus-containing Compounds -- Metal Complexes -- C Examples of Intermolecular Exchange -- Studies of Ligand Exchange (The Swift-Connick Approach) -- Other Studies of Intermolecular Exchange -- 4 Effects of Quadrupolar Nuclei -- A Theoretical Work -- B Resonance of Spin-½ nuclei Coupled to Quadrupolar Nuclei -- C N.M.R. Spectra of Quadrupolar Nuclei -- Nitrogen -- Other Nuclei -- D Effects of Magnetic Site Exchange on N.M.R. Spectra for Spin Systems containing Quadrupolar Nuclei -- 5 Relaxation Effects - Linewidths -- A Theoretical Work -- B Paramagnetic Effects -- C Gas-phase Studies -- D Miscellaneous Width Studies -- 6 Relaxation Effects-Saturation -- 7 Bandshapes in Multiple Resonance -- Cases including Exchange -- Chapter 7 Multiple Resonance -- 1 Introduction -- 2 Theory of Multiple Resonance -- 3 Double Resonance in the Presence of Chemical Exchange -- 4 Chemical Applications of Multiple-resonance Techniques -- Spin Decoupling -- Generalized Overhauser Effect -- INDOR. , Nuclear Overhauser Effect (NOE).