Contents -- Preface -- 1. Novel Strategies for Solving Highly Complex NMR Spectra of Solutes in Liquid Crystals E. E. Burnell, C. A. de Lange and W. Leo Meerts -- 1.1. Introduction -- 1.2. Theory -- 1.3. Multiple-quantum NMR -- 1.3.1. The MQ experiment and some variants -- 1.3.2. Spectral analysis with MQ -- 1.3.2.1. 2,6-dichloro-1-ethenylbenzene -- 1.3.2.2. Biphenyl -- 1.3.2.3. Butane -- 1.3.2.4. Some problems -- 1.4. Automated analysis using evolutionary strategies -- 1.4.1. Limiting parameter search space -- 1.4.2. The GA-method -- 1.5. Results obtained with the GA-method -- 1.6. Spectral analysis using Evolutionary Algorithms -- 1. 7. Conclusions -- Acknowledgments -- References -- 2. Analytical Potentials of Natural Abundance Deuterium NMR Spectroscopy in Achiral Thermotropics and Polypeptide Chiral Oriented Solvents P. Lesot and C. Aroulanda -- 2.1. Introduction -- 2.2. Theoretical Framework of NAD-NMR in Anisotropic Solvents -- 2.2.1. Brief description of spin Hamiltonian involved in NAD-NMR -- 2.2.2. NAD-NMR in chiral oriented solvents -- 2.2.3. 2 H relaxation and consequences on NAD-NMR spectra -- 2.3. NAD-NMR Spectroscopy of Strongly Aligned Molecules -- 2.3.1. Analysis of mesogenic molecules through NAD-NMR -- 2.3.2. Studies of solutes oriented in thermotropic liquid crystals -- 2.4. NAD-NMR in Weakly Orienting Polypeptide Solvents -- 2.4.1. Spectral discrimination of enantiomers using NAD-NMR -- 2.4.2. Design of 2D pulse sequences dedicated to NAD-NMR -- 2.4.3. Analysis of chiral rigid and flexible hydrocarbons -- 2.4.4. Applications of NAD-NMR in asymmetric synthesis -- 2.4.5. Spectral discrimination of enantiotopic elements -- 2.5. NAD-NMR in CLCs Using the Technology of Cryogenic Probes -- 2.5.1. NAD-NMR and 2H cryoprobe: new analytical frontiers -- 2.5.2. From 2D to 3D NAD-NMR experiments.

2.5.3. Anisotropic extension of the SNIF-NMR . method -- 2.5.4. Empirical assignment of the absolute configuration of enantiomers using NAD-NMR -- 2.6. Conclusion -- Acknowledgments -- References -- 3. Noble Gas Probes in NMR Studies of Liquid Crystals J. Jokisaari -- 3.1. Introduction -- 3.2. NMR Properties of Noble Gases -- 3.3. Enhancement of Polarization by Optical Pumping -- 3.4. Noble Gases in Bulk Liquid Crystals -- 3.4.1. Chemical shift -- 3.4.2. Diffusion -- 3.4.3. Relaxation -- 3.4.4. Quadrupole coupling -- 3.4.5. Simulations -- 3.5. Xenon in Confined Liquid Crystals -- 3.5. Conclusions -- Acknowledgments -- References -- 4. Bicelles - A Much Needed Magic Wand to Study Membrane Proteins by NMR Spectroscopy R. Soong, J. Xu and A. Ramamoorthy -- 4.1. Introduction -- 4.2. Bicelles: Simple, Elegant, Yet Controversial -- 4.3. Applications of Bicelles in Structural Biology -- Acknowledgement -- References -- 5. Advances in Proton NMR Relaxometry in Thermotropic Liquid Crystals P. J. Sebasti~ao, C. Cruz and A. C. Ribeiro -- 5.1. Introduction -- 5.2. Mesophases of Thermotropic Liquid Crystals -- 5.3. Proton NMR Relaxation in Liquid Crystals -- 5.3.1. Relaxation Mechanisms: Theoretical Models -- 5.3.1.1. Local molecular rotations/reorientations (R) -- 5.3.1.2. Molecular translational di usion (SD) -- 5.3.1.3. Collective motions -- 5.3.1.4. Other relaxation models for speci c motions -- 5.3.2. Experimental Techniques -- 5.4. Relaxometry Results and Molecular Dynamics -- 5.4.1. Isotropic phase -- 5.4.2. Nematic phase and Smectic phases with liquid-like layers -- 5.4.3. Smectic phases with ordered layers -- 5.4.4. Columnar phases -- 5.5. Conclusions and Outlook -- References -- 6. Deuterium NMR Study of Magnetic Field Distortions in Ferroelectric Mesogens R. Y. Dong -- 6.1. Introduction -- 6.2. Theoretical background -- 6.2.1. DNMR.

6.2.2. Free energy consideration -- 6.2.3. Helical unwinding/winding transitions in a magnetic field -- 6.3. SmC phase of 8BEF5 -- 6.4. SmC phase of BP8Cl -- 6.5. Anticlinic phases -- 6.5.1. SmC phases of 10B1M7 -- 6.6. Magnetic field effect on the transition to SmC phase -- 6.7. Conclusion -- Acknowledgment -- References -- 7. Deuteron NMR Study of the E ects of Random Quenched Disorder in 12CB Silica Dispersions D. Finotello and V. Pandya -- 7.1. Introduction -- 7.2. Experimental Details -- 7.2.1. Aerosil properties and sample preparation -- 7.2.2. Network types and relevant lengthscales -- 7.2.3. The Deuteron Nuclear Magnetic Resonance Tech- nique for Con ned Liquid Crystals -- 7.3. Experimental Results -- 7.3.1. Low Silica Density Dispersions -- 7.3.2. Higher Silica Density Dispersions -- 7.3.3. Stiff -gel dispersions -- 7.4. Conclusions -- Acknowledgments -- References -- 8. Dynamics of Liquid Crystals by means of Deuterium NMR Relaxation C. A. Veracini and V. Domenici -- 8.1. Introduction -- 8.2. Molecular Motions in Liquid Crystals -- 8.3. Dynamic Motions and NMR Techniques -- 8.3.1. Relaxation times -- 8.3.1.1. 2H NMR spin-lattice relaxation times -- 8.3.1.2. 2H NMR spin-spin relaxation times -- 8.3.2. Modeling of different motions in liquid crystals -- 8.3.2.1. Rotational diffusion in ordered phases -- 8.3.2.2. Internal motions -- 8.3.2.3. Collective motions -- 8.4. Selection of Experimental Cases -- 8.4.1. Determining the diffusion coefficients for the overall molecular and internal motions from T1 analysis -- 8.4.2. 2H NMR T1Z and T1Q analysis applied to ferroelectric (biaxial) smectic phases -- 8.4.3. 2H NMR T1Z and T1Q studies vs other experimental techniques -- 8.4.4. Applications of 2H NMR T2 relaxation to liquid crystals -- 8.5. Conclusions and Future Developments -- References.

9. Translational Self-di usion Measurements in Thermotropics by means of Static Field Gradients NMR Di usometry M. Cifelli -- 9.1. Introduction: Why Translational Diffusion in Liquid Crystals? -- 9.2. The Basic Principles of NMR Diffusometry: From the Echo Decay to the Self-Diffusion Coefficient -- 9.2.1. Spin echo versus stimulated echo -- 9.2.1.1. Echo attenuation in a Static Field Gradient (SFG) -- 9.2.2. A couple of words on the dynamic range of the measurements: which nucleus and which gradient? -- 9.3. NMR Diffusometry in Thermotropic Liquid Crystals: Measuring Diffusion in Anisotropic Systems -- 9.3.1. Further "anisotropic complications" of residual couplings -- 9.3.1.1. Fast transverse relaxation in liquid crystals -- 9.3.1.2. Dipolar correlation effect (DCE): slow modulation of residual dipolar couplings -- 9.4. A SFG Approach to Measure Translational Self-diffusion -- 9.4.1. Stray field NMR diffusometry: Exploiting the SFG present in the fringe field of the magnet -- 9.4.1.1. Pulses in the SFG and their calibrations -- 9.4.2. Pulse sequences for measuring diffusion with SFG -- 9.4.2.1. Two stimulated echo ratio -- 9.4.2.2. Constant time double stimulated echo (CTSTE) -- 9.4.2.3. Which method is preferable? -- 9.4.3. Sample rotation for full tensor diffusion measurements -- 9.4.4. Where should one place the probe to do the measurements? -- 9.5. Application of the Static Field Gradient Approach to Nematic and Smectic A phase in HAB and OAB -- 9.5.1. Translational order from diffusion data -- 9.6. Conclusions -- References -- 10. Deuterium NMR Studies of Static and Dynamic Director Alignment for Low Molar Mass Nematics A. Sugimura and G. R. Luckhurst -- 10.1. Introduction -- 10.2. Theoretical Background -- 10.3. Experimental -- 10.4. Static Director Orientation -- 10.5. Director Dynamics -- 10.6. Molecular Site Dependence of Director Dynamics.

10.7. Conclusions -- Acknowledgments -- References -- 11. Viscoelastic Properties of Liquid Crystals: Statistical-mechanical Approaches and Molecular Dynamics Simulations A. V. Zakharov -- 11.1. Introduction -- 11.2. Structure and elastic properties of nematic LCs -- 11.2.1. Elastic properties -- 11.2.2. Order parameters and direct correlation function: statistical-mechanical treatment -- 11.2.3. Order parameters and direct correlation function: molecular dynamics simulation -- 11.2.4. Flexoelectric effect -- 11.3. Viscous properties of a nematic liquid crystal -- 11.3.1. Statistical-mechanical formulas for the rotational viscosity -- 11.3.2. Motional constants and orientational time correla- tion functions -- 11.3.3. Numerical results for RVC0s and -- 11.4. Conclusion -- Acknowledgment -- References -- 12. Carbon-13 NMR Studies of Thermotropic Liquid Crystals R. Y. Dong -- 12.1. Introduction -- 12.2. Spin Hamiltonian in LC -- 12.2.1. Molecular orientational order and motion -- 12.3. 13C NMR Techniques -- 12.3.1. Spatial averaging -- 12.3.2. Spin averaging -- 12.3.3. Two-dimensional techniques -- 12.3.3.1. HETCOR -- 12.3.3.2. SLF experiment -- 12.3.3.3. MAS exchange experiment -- 12.3.3.4. SUPER experiment -- 12.4. Chemical Shifts in Uniaxial and Biaxial Phases -- 12.5. Bent-core Mesogens -- 12.5.1. Measurement of CSA tensors -- 12.5.2. 10DClPBBC and 11ClPBBC -- 12.5.3. Pbis11BB -- 12.5.4. ClPbis11BB -- 12.6. Calamitic Mesogens -- 12.6.1. Order parameters of 8BEF5 -- 12.6.2. Order parameters of 10B1M7 and 11EB1M7 -- 12.6.3. CSA tensors and molecular order in ZLL 7/* -- 12.7. Conclusion -- Acknowledgment -- References -- 13. A Combined DFT and Carbon-13 NMR Study of a Biaxial Bent-core Mesogen A. Marini, V. Prasad and R. Y. Dong -- 13.1. Introduction -- 13.2. Theory -- 13.2.1. QM Calculation of nuclear shieldings in vacuo.

13.2.2. Chemical Shielding: de nition and commonly used conventions.