NMR of ordered liquids / edited by E. Elliott Burnell and Cornelis A. De Lange.

Format:

Book

Contributor:

Burnell, E. Elliott.

De Lange, Cornelis A.

Language:

English

Subjects (All):

Liquids--Spectra.

Liquids.

Nuclear magnetic resonance spectroscopy.

Anisotropy.

Physical Description:

xxv, 455 pages : illustrations ; 25 cm

Place of Publication:

Dordrecht ; Boston : Kluwer Academic Publishers, [2003]

Contents:

1 Basics of NMR of molecules in uniaxial anisotropic environments / C.A. de Lange, E.E. Burnell 5

2 General Hamiltonian in uniaxial anisotropic liquids 6

3 The high-field approximation 9

4 Transformation to molecule-fixed axes 11

5 Orientation parameters 12

6 Molecular symmetry 15

7 Simple examples of NMR spectra of orientationally ordered molecules 17

8 Orientational order induced by anisotropic solvents 21

9 Orientational order induced by strong electric fields 22

10 Orientational order induced by strong magnetic fields 23

11 Internal motion 24

2 Density matrix methods in NMR / M. Bloom, E.E. Burnell, C.A. de Lange 27

3 Pulsed NMR 30

3 Coherent averaging and correlation of anisotropic spin interactions in oriented molecules / Malgorzata Marjanska, Robert H. Havlin, Dimitris Sakellariou 45

2 Spatial reorientation techniques 45

3 Two-dimensional dynamic director correlations 50

4 Spin manipulation based techniques 51

5 Multidimensional techniques 57

4 Multiple Quantum NMR Spectroscopy in Orientationally Ordered Fluids / Leslie D. Field 67

1 NMR in orientationally ordered fluids 67

2 Spectral simplification by MQNMR 68

3 Excitation and detection of multiple quantum coherence 69

4 Selective deuteration for spectral simplification 76

5 Spectral analysis and simulation 77

6 Structural studies using MQNMR 77

7 Structual studies by [superscript 1]H MQNMR 80

8 Heteronuclear MQNMR 84

9 Other applications of MQNMR in liquid crystalline solvents 84

5 Spectral Analysis of Orientationally Ordered Molecules / Raymond T. Syvitski 89

2 Tools of the trade 90

Part II NMR of solute atoms and molecules

6 NMR of Noble Gases Dissolved in Liquid Crystals / Jukka Jokisaari 109

2 NMR properties of noble gases 109

3 Chemical shift 110

4 Quadrupole coupling 121

5 Relaxation 127

6 [superscript 129]Xe self-diffusion 130

7 NMR of partially ordered solutes with emphasis on structure determination / C.L. Khetrapal, G.A. Nagana Gowda 137

3 Spectral analysis 141

5 Practical considerations for deriving precise molecular structural information 142

6 Aids for spectral analysis 145

7 Emerging developments and possible future directions 153

8 Observation and interpretation of residual dipolar couplings in biomolecules / Jean-Francois Trempe, Kalle Gehring 163

2 Theory 164

3 Measurement of residual dipolar couplings 166

4 Interpretation and applications of dipolar couplings and CSA in structural biology 177

9 The search for high-resolution NMR methods for membrane peptide structure / Christophe Fares, James H. Davis 191

1 Introduction: NMR of orientationally ordered systems 191

2 Theoretical background 193

3 Separated local field spectroscopy 197

4 High-resolution [superscript 1]H MAS NMR of small membrane proteins 209

Part III Theory, models, and simulations

10 Solutes as probes of simplified models of orientational order / E.E. Burnell, C.A. de Lange 221

2 Obtaining a self-consistent set of solute orientational order parameters 224

3 Factors affecting solute orientational order 226

4 Orientational order of solutes in "magic mixtures" 230

5 Comparison of experimental and calculated orientational order in "pure" liquid crystals and "magic mixtures" 234

11 Molecular Models of Orientational Order / Alberta Ferrarini, Giorgio J. Moro 241

1 Phenomenological models for short-range interactions 242

2 Modeling electrostatic interactions 246

3 Density functional theory 251

Appendix Polarization induced by a charge distribution in a dielectric 256

12 Molecular theory of orientational order / Demetri J. Photinos 259

2 Order parameters, molecular structure and interactions 260

3 Approximation schemes for the potential of mean torque 268

4 Molecular models 273

13 Very Flexible Solutes: Alkyl Chains and Derivatives / Edward T. Samulski 285

2 Chronology of NMR studies of flexible solutes 289

3 Models of flexible molecules 293

14 NMR Studies of Solutes in Liquid Crystals: Small Flexible Molecules / Giorgio Celebre, Marcello Longeri 305

2 Theoretical background 306

3 The conformational problem 307

15 Simulations of Orientational Order of Solutes in Liquid Crystals / James M. Polson 325

2 Orientational distribution functions and mean-field potentials 327

3 Conformational behaviour of flexible solutes 333

4 Electrostatic interactions 337

Part IV Dynamic aspects and relaxation

16 Spin relaxation in orientationally ordered molecules / Ronald Y. Dong 349

2 Average Hamiltonian 350

3 Spin relaxation theory 354

4 Motional models 356

5 Applications of spin relaxation 360

17 Low-frequency NMR relaxometry of spatially constrained liquid crystals / F. Grinberg, M. Vilfan, E. Anoardo 375

2 Field-cycling relaxometry 378

3 Low-field proton relaxometry of confined liquid crystals 380

4 The dipolar-correlation effect 384

5 Deuteron NMR relaxometry of confined liquid crystals 391

18 NMR on macroscopically oriented lyotropic systems / G. Oradd, G. Lindblom 399

2 Orientation dependent NMR interactions 399

3 Lipid translational diffusion 404

4 Preparation of macroscopically oriented lamellar systems 407

19 Dynamic NMR in liquid crystals and liquid crystalline solutions / Zeev Luz 419

2 Dynamic proton NMR of solutes in nematic solvents 420

3 Dynamic deuterium NMR spectra 428

4 Dynamic carbon-13 MAS NMR 439.

Notes:

Includes bibliographical references and index.

ISBN:

1402013434

OCLC:

52182577