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NMR of Ordered Liquids

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ISBN-10: 1402013434

ISBN-13: 9781402013430

Edition: 2003

Authors: E. Elliott Burnell, Cornelis A. de Lange

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NMR of Ordered Liquids gives a unique overview of the scope and limitations of the NMR of oriented liquids, based on contributions from acknowledged experts in the field. The book consists of four sections: -detailed general introduction which covers the basic principles and sophisticated experimental techniques; -wide variety of applications ranging from NMR studies of small atoms and molecules in anisotropic liquids to the utilization of residual dipolar couplings for structure determination of biological molecules; -summary of the sophisticated theoretical treatments, computer simulations, and phenomenological models for anisotropic intermolecular interactions that are widely used in the…    
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Book details

Copyright year: 2003
Publisher: Springer
Publication date: 7/31/2003
Binding: Hardcover
Pages: 456
Size: 6.75" wide x 9.90" long x 0.75" tall
Weight: 2.2
Language: English

Contributing Authors
Basics of NMR of molecules in uniaxial anisotropic environments
General Hamiltonian in uniaxial anisotropic liquids
The high-field approximation
Transformation to molecule-fixed axes
Orientation parameters
Molecular symmetry
Simple examples of NMR spectra of orientationally ordered molecules
Orientational order induced by anisotropic solvents
Orientational order induced by strong electric fields
Orientational order induced by strong magnetic fields
Internal motion
Density matrix methods in NMR
Brief introduction to the density matrix
Pulsed NMR
Coherent averaging and correlation of anisotropic spin interactions in oriented molecules
Spatial reorientation techniques
Two-dimensional dynamic director correlations
Spin manipulation based techniques
Multidimensional techniques
Multiple Quantum NMR Spectroscopy in Orientationally Ordered Fluids
NMR in orientationally ordered fluids
Spectral simplification by MQNMR
Excitation and detection of multiple quantum coherence
Selective deuteration for spectral simplification
Spectral analysis and simulation
Structural studies using MQNMR
Structual studies by [superscript 1]H MQNMR
Heteronuclear MQNMR
Other applications of MQNMR in liquid crystalline solvents
Spectral Analysis of Orientationally Ordered Molecules
Tools of the trade
Some examples of putting it together
NMR of solute atoms and molecules
NMR of Noble Gases Dissolved in Liquid Crystals
NMR properties of noble gases
Chemical shift
Quadrupole coupling
[superscript 129]Xe self-diffusion
NMR of partially ordered solutes with emphasis on structure determination
Basic principles
Spectral analysis
Scope and limitations
Practical considerations for deriving precise molecular structural information
Aids for spectral analysis
Emerging developments and possible future directions
Observation and interpretation of residual dipolar couplings in biomolecules
Measurement of residual dipolar couplings
Interpretation and applications of dipolar couplings and CSA in structural biology
The search for high-resolution NMR methods for membrane peptide structure
Introduction: NMR of orientationally ordered systems
Theoretical background
Separated local field spectroscopy
High-resolution [superscript 1]H MAS NMR of small membrane proteins
Theory, models, and simulations
Solutes as probes of simplified models of orientational order
Obtaining a self-consistent set of solute orientational order parameters
Factors affecting solute orientational order
Orientational order of solutes in "magic mixtures"
Comparison of experimental and calculated orientational order in "pure" liquid crystals and "magic mixtures"
Molecular Models of Orientational Order
Phenomenological models for short-range interactions
Modeling electrostatic interactions
Density functional theory
Polarization induced by a charge distribution in a dielectric
Molecular theory of orientational order
Order parameters, molecular structure and interactions
Approximation schemes for the potential of mean torque
Molecular models
Very Flexible Solutes: Alkyl Chains and Derivatives
Chronology of NMR studies of flexible solutes
Models of flexible molecules
NMR Studies of Solutes in Liquid Crystals: Small Flexible Molecules
Theoretical background
The conformational problem
Selected examples
Simulations of Orientational Order of Solutes in Liquid Crystals
Orientational distribution functions and mean-field potentials
Conformational behaviour of flexible solutes
Electrostatic interactions
Dynamic aspects and relaxation
Spin relaxation in orientationally ordered molecules
Average Hamiltonian
Spin relaxation theory
Motional models
Applications of spin relaxation
Low-frequency NMR relaxometry of spatially constrained liquid crystals
Field-cycling relaxometry
Low-field proton relaxometry of confined liquid crystals
The dipolar-correlation effect
Deuteron NMR relaxometry of confined liquid crystals
NMR on macroscopically oriented lyotropic systems
Orientation dependent NMR interactions
Lipid translational diffusion
Preparation of macroscopically oriented lamellar systems
Dynamic NMR in liquid crystals and liquid crystalline solutions
Dynamic proton NMR of solutes in nematic solvents
Dynamic deuterium NMR spectra
Dynamic carbon-13 MAS NMR
Concluding remarks