Schlagwort(e):
Nuclear magnetic resonance.
;
Electronic books.
Beschreibung / Inhaltsverzeichnis:
For those wanting to become rapidly acquainted with specific areas of NMR, this title provides unrivalled scope of coverage.
Materialart:
Online-Ressource
Seiten:
1 online resource (546 pages)
Ausgabe:
1st ed.
ISBN:
9781847553799
Serie:
Issn Series
URL:
https://ebookcentral.proquest.com/lib/geomar/detail.action?docID=1185829
DDC:
016.538362
Sprache:
Englisch
Anmerkung:
Nuclear Magnetic Resonance -- Contents -- CHAPTER 1 NMR Books and Reviews -- CHAPTER 2 Theoretical and Physical Aspects of Nuclear Shielding -- 1 Theoretical Aspects of Nuclear Shielding -- 1.1 General Theory -- 1.2 Ab Initio Calculations -- 1.3 Semiempirical Calculations -- 2 Physical Aspects of Nuclear Shielding -- 2.1 Anisotropy of the Shielding Tensor -- 2.2 Rovibrational Averaging and Shielding Surfaces -- 2.3 Isotope Shifts -- 2.4 Intermolecular Effects on Nuclear Shielding -- References -- CHAPTER 3 Applications of Nuclear Shielding -- 1 Various Chemical and Physical Influences on Nuclear Shieldings -- 1.1 Computer Assisted Structural Assignment -- 1.1.1 Spectrum Simulation and Related Techniques -- 1.1.2 Computer Assisted Assignments and Nuclear Shielding Calculations -- 1.2 Stereochemical Nuclear Shielding Non-equivalence -- 1.2.1 Asymmetric Determination -- 1.2.2 Other Stereochemistry Determinations -- 1.3 Isotope Effects -- 1.4 Substituent Effects -- 1.4.1 Proton Substituent Effects -- 1.4.2 Carbon Substituent Effects -- 1.4.3 Heteroatom Substituent Effects -- 1.5 Intramolecular Hydrogen Bonding Effects and Related Effects -- 1.5.1 Proton Shifts -- 1.5.2 Heteronuclear Shifts -- 1.6 Bond Anisotropy, Ring Current Effects and Aromaticity -- 1.7 Inclusion Phenomena and Related Effects -- 1.7.1 ß-Cyclodextrin -- 1.7.2 Miscellaneous Hosts -- 1.8 Intermolecular Hydrogen Bonding Effects and Related Effects -- 1.8.1 Proton Shifts -- 1.8.2 Heteronuclear Shifts -- 1.9 Other Miscellaneous Topics -- 2 Shieldings of Particular Nuclear Species -- 2.1 Group 1 -- 2.1.1 Hydrogen (1H) -- 2.1.2 Hydrogen (2,3H) -- 2.1.3 Lithium (6,7Li) -- 2.1.4 Sodium (23Na) -- 2.1.5 Potassium (39K) -- 2.1.6 Rubidium (87Rb) -- 2.1.7 Caesium (133Cs) -- 2.2 Group 2 -- 2.2.1 Beryllium (9Be) -- 2.2.2 Calcium (43Ca) -- 2.3 Group 3 -- 2.3.1 Yttrium (89Y).
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2.3.2 Lanthanum (139La) -- 2.3.3 Ytterbium (171Yb) -- 2.4 Group 4 -- 2.4.1 Titanium (47,49Ti) -- 2.4.2 Zirconium (91Zr) -- 2.5 Group 5 -- 2.5.1 Vanadium (51V) -- 2.5.2 Niobium (93Nb) -- 2.6 Group 6 -- 2.6.1 Molybdenum (95Mo) -- 2.6.2 Tungsten (183W) -- 2.7 Group 7 -- 2.7.1 Manganese (55Mn) -- 2.8 Group 8 -- 2.8.1 Iron(57Fe) -- 2.9 Group 9 -- 2.9.1 Cobalt (59Co) -- 2.9.2 Rhodium (103Co) -- 2.10 Group 10 -- 2.10.1 Platinum (195Pt) -- 2.11 Group 11 -- 2.11.1 Copper (63Cu) -- 2.11.2 Silver (109Ag) -- 2.12 Group 12 -- 2.12.1 Cadmium (111,113Cd) -- 2.12.2 Mercury (199Hg) -- 2.13 Group 13 -- 2.13.1 Boron (11B) -- 2.13.2 Aluminium (27Al) -- 2.13.3 Thallium (205Tl) -- 2.14 Group 14 -- 2.14.1 Carbon (13C) -- 2.14.2 Silicon (29Si) -- 2.14.3 Germanium (73Ge) -- 2.14.4 Tin (119Sn) -- 2.14.5 Lead (207Pb) -- 2.15 Group 15 -- 2.15.1 Nitrogen (14,15N) -- 2.15.2 Phosphorus (13P) -- 2.15.3 Arsenic (75As) -- 2.16 Group 16 -- 2.16.1 Oxygen (17O) -- 2.16.2 Sulphur (33S) -- 2.16.3 Selenium (77Se) -- 2.16.4 Tellurium (125Te) -- 2.17 Group 17 -- 2.17.1 Fluorine (19F) -- 2.17.2 Chlorine (35Cl) -- 2.17.3 Bromine (81Br) -- 2.18 Group 18 -- 2.18.1 Neon (21Ne), Krypton (83Kr), and Xenon (131Xe) -- 2.18.2 Xenon (129Xe) -- References -- CHAPTER 4 Theoretical Aspects of Spin-Spin Couplings -- 1 Introduction -- 2 Ab Initio Calculations -- 2.1 Many-Body Perturbation Method -- 2.2 Quadratic Configuration Interaction Calculation -- 2.3 Bond Length and Bond Angle Dependence of Spin-Spin Coupling Constants -- 2.4 A Sum-Over-States Formulation of the Diamagnetic Contribution -- 3 Conformational Study Using the Karplus Equation -- References -- CHAPTER 5 Applications of Spin-Spin Couplings -- 1 Introduction -- 2 Application of New Methods -- 3 One-Bond Couplings to Hydrogen -- 4 One-Bond Couplings not Involving Hydrogen -- 5 Two-Bond Couplings to Hydrogen.
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6 Two-Bond Couplings not Involving Hydrogen -- 7 Three-Bond Hydrogen-Hydrogen Couplings -- 8 Three-Bond Couplings between Hydrogen and Heteronuclei -- 9 Three-Bond Couplings not Involving Hydrogen -- 10 Couplings Over More than Three-Bonds and 'Through Space' -- References -- CHAPTER 6 Nuclear Spin Relaxation in Liquids -- 1 Introduction -- 2 General, Physical and Experimental Aspects -- 2.1 General Aspects -- 2.2 Experimental Aspects -- 2.3 Coupled Spin Systems -- 2.4 Exchange Spectroscopy -- 2.5 Quadrupolar Relaxation -- 2.6 Intermolecular Dipolar Interactions -- 2.7 Paramagnetically Enhanced Relaxation -- 2.8 Molecular Reorientations and Internal Motions -- 3 Selected Applications -- 3.1 Pure Liquids and Non-Electrolyte Solutions -- 3.2 Electrolyte Solutions and Molten Salts -- 3.3 Alkali Metal Complexes and Electrides -- 3.4 Transition Metal Complexes -- 4 Self-Diffusion in Liquids -- 4.1 Experimental Aspects -- 4.2 Applications -- References -- CHAPTER 7 Solid State NMR -- 1 Introduction -- 2 Reviews -- 3 Fundamental Aspects: Theoretical and Experimental -- 3.1 Theory -- 3.2 New Pulse Sequences and Developments of Existing Pulse Sequences -- 3.3 Determination of NMR Parameters and Other Fundamental Information -- 3.4 Other Experimental Aspects -- 4 Chemical Applications -- 4.1 13C NMR -- 4.1.1 Organic Solids -- 4.1.2 Zeolites, Aluminophosphates, and Related Materials -- 4.1.3 Organometallics and Coordination Compounds -- 4.1.4 Other Inorganic Materials -- 4.1.5 Surface Science and Catalysis -- 4.2 27Al and 29Si NMR -- 4.2.1 Zeolites, Aluminophosphates, and Related Materials -- 4.2.2 Organometallics and Coordination Compounds -- 4.2.3 Other Inorganic Materials -- 4.2.4 Glasses and Amorphous Solids -- 4.2.5 Surface Science and Catalysis -- 4.3 2H NMR -- 4.4 31P NMR -- 4.4.1 Zeolites, Aluminophosphates, and Related Materials.
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4.4.2 Organometallics, Coordination Compounds, and Other Inorganic Materials -- 4.4.3 Glasses and Amorphous Solids -- 4.4.4 Surface Science and Catalysis -- 4.5 Multinuclear NMR -- 4.5.1 Organic Solids -- 4.5.2 Zeolites, Aluminophosphates, and Related Materials -- 4.5.3 Organometallics and Coordination Compounds -- 4.5.4 Other Inorganic Materials -- 4.5.5 Glasses and Amorphous Solids -- 4.5.6 Surface Science and Catalysis -- 4.6 NMR of Other Nuclei -- 4.6.1 Organic Solids -- 4.6.2 Zeolites, Aluminophosphates, and Related Materials -- 4.6.3 Organometallics and Coordination Compounds -- 4.6.4 Other Inorganic Materials -- 4.6.5 Glasses and Amorphous Solids -- 4.6.6 Surface Science and Catalysis -- References -- CHAPTER 8 Multiple Pulse NMR -- 1 Introduction -- 2 Variation of the Radiofrequency Pulse -- 2.1 Solvent Suppression Pulses -- 2.2 Composite and Decoupling Pulses -- 2.3 Selective Excitation Pulses -- 2.4 Gradient Enhanced Spectroscopy -- 2.5 Other Variations of RF Pulses -- 3 Homonuclear Correlation Spectroscopy -- 3.1 Determination of Scalar Coupling Constants -- 3.2 Isotropic Mixing Experiments -- 3.3 Zero and Multiple Quantum Experiments -- 3.4 Variations of Correlation Spectroscopy -- 4 Dipolar Coupling, Chemical Exchange and Relaxation Time Experiments -- 4.1 Dipolar Coupling and Chemical Exchange -- 4.2 Relaxation Time Measurements -- 5 Heteronuclear Experiments -- 5.1 Direct Detection Correlation Spectroscopy -- 5.2 Inverse Proton-Detected Correlation Spectroscopy -- 5.3 Scalar Coupling Constants Using Heteronuclear Experiments -- 5.4 Gradient Enhanced Inverse Detection Heteronuclear Experiments -- 6 Methods for the Improvement of Data Quality , -- 7 Three- and Four-Dimensional NMR -- 7.1 Heteronuclear Triple Resonance Three-Dimensional Experiments -- 7.2 Heteronuclear Triple Resonance Four-Dimensional Experiments.
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7.3 Heteronuclear Double-Resonance Three-Dimensional Experiments -- 7.4 Scalar Coupling Constants Using Triple Resonance Experiments -- 7.5 Scalar Coupling Constants Using Double Resonance Experiments -- 7.6 Gradient Enhanced Three- and Four-Dimensional Heteronuclear Experiments -- 7.7 Homonuclear Experiments -- 8 Computation -- 8.1 Data Processing -- 8.2 Computer-Aided Assignments and Procedures -- 8.3 Extracting Coupling Constants from Homonuclear and Heteronuclear Experiments -- 8.4 Extracting Distance Information from NOESY Data -- 8.5 Theoretical Calculations and Predictions -- References -- CHAPTER 9 Natural Macromolecules -- 1 Introduction -- 2 Peptides -- 3 Proteins -- 3.1 NMR Parameters and Protein Structure -- 3.2 Protein Structure Determinations -- 3.3 Ligand Binding -- 3.4 Mutagenesis -- 3.5 Protein Folding -- 3.6 Protein Dynamics -- 3.7 Metalloproteins -- 4 DNA -- 5 RNA -- 6 Carbohydrates -- 7 Bound Water Molecules -- References -- CHAPTER 10 Synthetic Macromolecules -- 1 Introduction -- 2 Solution State Studies of the Microstructure -- Initiation and Other Minor Events -- Reactions on Polymers -- Polymerization Reactions -- 3 Star, Dendritic and Fractal Polymers -- 4 Liquid Crystalline Polymers -- 5 Networks: the Solution State and Beyond -- 6 Motional Models and Measurement in the Solution, Liquid and Solid States -- 7 Solid State Studies: Single Polymers -- 8 Solid State Studies: Blends of Polymers -- 9 Imaging -- 10 Studies with Heteroatom Resonance Spectroscopy -- References -- CHAPTER 11 Conformational Analysis -- 1 Introduction -- 2 Methods -- 3 Small Organic Molecules -- 4 Nucleic Acids -- 5 Proteins and Peptides -- 6 Ligand Binding -- 7 Carbohydrates -- 8 Membranes -- 9 Inorganic and Organometallic Compounds -- References -- CHAPTER 12 Nuclear Magnetic Resonance Spectroscopy of Living Systems.
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1 General Reviews and New Methodology.
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