Annual Reports on NMR Spectroscopy / Edited by Graham A. Webb

By: Material type: TextTextLanguage: Undetermined Series: ; Volume Eighty Seven (87)Publisher: ©2016Edition: First Edition, 2016Description: ix, 379 pages : illustrations ; 24 cmContent type:
  • text
Media type:
  • unmediated
Carrier type:
  • volume
Subject(s): Additional physical formats: Print: Annual Reports on NMR SpectroscopyLOC classification:
  • QD96.N8 WEB
Online resources:
Contents:
Front Cover; Annual Reports on NMR spectroscopy; Copyright; Contents; Contributors; Preface; Chapter One: Multiple-Quantum NMR Studies on Molecular Mixtures; 1. Introduction; 2. Fundamentals of Homonuclear MQ-NMR; 2.1. Efficiency; 2.2. Relay Peaks; 2.3. Specificity of the Highest Possible Coherence Order for a Given Spin System; 3. MQ Spectroscopy for Mixture Analysis; 3.1. DQS Analysis of Mixtures; 3.2. The MaxQ Approach; 4. Analytical Applications of the MaxQ Principle; 4.1. Characterization of Polyphenolics in Natural Substances; 4.2. Quantitative Analysis Using MaxQ Spectroscopy 5. Acceleration of MQ Experiments5.1. Ultrafast DQ Spectroscopy; 5.2. Nonuniform Sampling; 6. Conjugating MQ and NMR Diffusometry; 7. Conclusions; References; Chapter Two: Recent NMR Studies of Thermotropic Liquid Crystals; 1. Introduction to Liquid Crystals; 2. Order Parameters and Mesophase Transitions; 2.1. Order Parameters of Board-Like (Sanidic) Molecules; 3. Effects of Applied External Fields; 3.1. Achiral V-Shaped Mesogens; 3.2. Helical Unwinding and Winding Transitions of Ferroelectric Liquid Crystals; 3.2.1. Angle-Dependent DNMR Study 3.2.2. Field Effects on Twist Grain Boundary Mesophases4. Diffusive Motions in Liquid Crystals; 5. Proton and Deuterium Spin Relaxation Studies; 5.1. Calamitic and Chromonic Mesogens; 5.2. Bent-Core and Dendritic Mesogens; 6. Studies of Order and Structure; 6.1. Calamitics and Hydrogen-Bonded Mesogens; 6.2. V-Shaped Mesogens; 6.2.1. Conformational Problem of BCMs: A Case Study; 6.3. Discotic Mesogens; 6.4. Polymeric Liquid Crystals and LC Elastomers; 7. Studies of Oriented Solutes; 7.1. NMR of Rigid Solutes; 7.2. NMR of Flexible Alkanes; 8. NMR Studies of LC Confined Systems 9. Summary and OutlookReferences; Chapter Three: Recent Advances in 14N Solid-State NMR; 1. Introduction; 2. Preliminary Background on 14N Solid-State NMR; 2.1. Quadrupolar Coupling; 2.2. Chemical Shift; 2.3. Spin-Spin Couplings; 3. Advances in 14N Solid-State NMR Methods; 3.1. Excited and Observed Transitions; 3.2. Direct Detection Methods; 3.2.1. Recent Advances in Wideline Acquisition; 3.2.2. MAS Improvements; 3.2.3. The Renewed Overtone Approach; 3.2.4. New Polarization Transfer Methods; 3.3. Indirect Detection Methods; 3.3.1. Dipolar Recoupling Sequences 3.3.2. Heteronuclear 14N-X Correlations4. Modeling of Structures and Dynamics; 4.1. Ab Initio Calculations of EFG; 4.1.1. Choice of Geometrical Parameters, Basis Sets, and Exchange-Correlation Functionals; 4.1.2. Correction for London Dispersion Energy; 4.2. Molecular Dynamics; 4.2.1. Simulations from Static EFG Tensor; 4.2.2. Simulations from Dynamically Averaged EFG Tensor; 5. 14N NMR Characterization Studies; 5.1. Inorganic and Hybrid Organic-Inorganic Materials; 5.1.1. Nitrides; 5.1.2. Nitrates; 5.1.3. Ammonium and Ammonia Containing Compounds; 5.1.4. Tetra-n-Alkylammonium Cations
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Includes bibliographical references and index.

Front Cover; Annual Reports on NMR spectroscopy; Copyright; Contents; Contributors; Preface; Chapter One: Multiple-Quantum NMR Studies on Molecular Mixtures; 1. Introduction; 2. Fundamentals of Homonuclear MQ-NMR; 2.1. Efficiency; 2.2. Relay Peaks; 2.3. Specificity of the Highest Possible Coherence Order for a Given Spin System; 3. MQ Spectroscopy for Mixture Analysis; 3.1. DQS Analysis of Mixtures; 3.2. The MaxQ Approach; 4. Analytical Applications of the MaxQ Principle; 4.1. Characterization of Polyphenolics in Natural Substances; 4.2. Quantitative Analysis Using MaxQ Spectroscopy
5. Acceleration of MQ Experiments5.1. Ultrafast DQ Spectroscopy; 5.2. Nonuniform Sampling; 6. Conjugating MQ and NMR Diffusometry; 7. Conclusions; References; Chapter Two: Recent NMR Studies of Thermotropic Liquid Crystals; 1. Introduction to Liquid Crystals; 2. Order Parameters and Mesophase Transitions; 2.1. Order Parameters of Board-Like (Sanidic) Molecules; 3. Effects of Applied External Fields; 3.1. Achiral V-Shaped Mesogens; 3.2. Helical Unwinding and Winding Transitions of Ferroelectric Liquid Crystals; 3.2.1. Angle-Dependent DNMR Study
3.2.2. Field Effects on Twist Grain Boundary Mesophases4. Diffusive Motions in Liquid Crystals; 5. Proton and Deuterium Spin Relaxation Studies; 5.1. Calamitic and Chromonic Mesogens; 5.2. Bent-Core and Dendritic Mesogens; 6. Studies of Order and Structure; 6.1. Calamitics and Hydrogen-Bonded Mesogens; 6.2. V-Shaped Mesogens; 6.2.1. Conformational Problem of BCMs: A Case Study; 6.3. Discotic Mesogens; 6.4. Polymeric Liquid Crystals and LC Elastomers; 7. Studies of Oriented Solutes; 7.1. NMR of Rigid Solutes; 7.2. NMR of Flexible Alkanes; 8. NMR Studies of LC Confined Systems
9. Summary and OutlookReferences; Chapter Three: Recent Advances in 14N Solid-State NMR; 1. Introduction; 2. Preliminary Background on 14N Solid-State NMR; 2.1. Quadrupolar Coupling; 2.2. Chemical Shift; 2.3. Spin-Spin Couplings; 3. Advances in 14N Solid-State NMR Methods; 3.1. Excited and Observed Transitions; 3.2. Direct Detection Methods; 3.2.1. Recent Advances in Wideline Acquisition; 3.2.2. MAS Improvements; 3.2.3. The Renewed Overtone Approach; 3.2.4. New Polarization Transfer Methods; 3.3. Indirect Detection Methods; 3.3.1. Dipolar Recoupling Sequences
3.3.2. Heteronuclear 14N-X Correlations4. Modeling of Structures and Dynamics; 4.1. Ab Initio Calculations of EFG; 4.1.1. Choice of Geometrical Parameters, Basis Sets, and Exchange-Correlation Functionals; 4.1.2. Correction for London Dispersion Energy; 4.2. Molecular Dynamics; 4.2.1. Simulations from Static EFG Tensor; 4.2.2. Simulations from Dynamically Averaged EFG Tensor; 5. 14N NMR Characterization Studies; 5.1. Inorganic and Hybrid Organic-Inorganic Materials; 5.1.1. Nitrides; 5.1.2. Nitrates; 5.1.3. Ammonium and Ammonia Containing Compounds; 5.1.4. Tetra-n-Alkylammonium Cations

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