Molecular crystals and Molecules

PrefaceChapter I Structure of Crystals A. Close-Packing Principle 1. Geometrical Model of a Molecular Crystal 2. Determination of Intermodular Radii 3. Packing Coefficient 4. Close Packing and Crystal Symmetry 5. Closest-Packed Plane Groups of Symmetry 6. Space Groups Suitable for Close Packing of Molecules B. Typical Structures 7. Linear Aromatic Systems 8. Nonlinear Condensed Aromatic Molecules of Symmetry mm and mmm 9. Structure of Normal Paraffins 10. Organo-Iron Compounds 11. Tetraaryl Compounds 12. Polymorphic Modifications 13. Hydrogen Bonds in Crystals C. Crystals with Elements of Disorder 14. Rigid Disorder 15. Rotational Crystalline State D. Binary Systems 16. Conditions for Formation of Solid Solutions 17. Determination of Phase Diagrams 18. X-Ray Diffraction of Solid Solution Crystals 19. Geometrical Analysis and Energy Calculations 20. Molecular Compounds ReferencesChapter II Lattice Energy A. Interactions of Molecules 1. van der Waals Forces 2. Calculation of the Lattice Energy of Molecular Crystals B. Electrostatic Energy 3. The Dipole-Dipole Interaction in a Molecular Crystal 4. The Quadrupole Energy 5. Concluding Remarks C. The Device of Atom-Atom Potentials 6. The van der Waals Interactions in a Molecular Crystal 7. Potential Curves 8. Energy as a Function of Lattice Parameters 9. Calculation of the Structure and of the Energy Surfaces for Benzene, Naphthalene, and Anthracene Crystals 10. The Condition for the Structural Stability of an Organic Crystal and the Principle of Close Packing 11. The Effect of the Crystalline Field on the Shape of a Molecule ReferencesChapter III Lattice Dynamics 1. The Equations of Motion 2. Selection of the Coordinate System 3. The Coupling Coefficients 4. The Limiting Frequencies and Their Eigenvectors 5. The Dynamic Problem for a Naphthalene Crystal 6. Calculation of Crystal Dynamics by the Method of Atom-Atom Potentials 7. The Mean Vibration Amplitude 8. Reorientation of Molecules ReferencesChapter IV Methods of Investigating Structure and Molecular Movement A. Diffraction Methods 1. Methods of Structure Determination, Their Accuracy and Objectivity 2. Principles of the Diffraction Method of Studying Crystal Structure 3. Sphericity of Atoms 4. Accuracy of Structural Determinations 5. Comparison of X-Ray, Electron, and Neutron Diffraction Analyses 6. Finding and Elucidating the Structures of Molecular Crystals 7. Heat Wave Scattering B. Nuclear Magnetic Resonance 1. Theoretical Fundamentals of Nuclear Magnetic Resonance in a Solid 2. Investigation of Molecular Movement in a Crystal by the NMR Method 3. Determining Proton Coordinates in Organic Crystals 4. Theory of Nuclear Quadrupole Resonance 5. Use of NQR in Studying the Structure of Molecular Crystals ReferencesChapter V Thermodynamic Experiments 1. Measuring Thermal Expansion 2. Measuring the Elasticity Tensor of a Single Crystal 3. Calculating Elastic Constants of Single Crystals from Experimentally Measured Elastic Wave Velocities 4. Elasticity Tensors of Naphthalene, Stilbene, Tolan, and Dibenzyl Single Crystals at Room Temperature and Normal Pressure 5. Investigation of the Elastic Properties of Polycrystalline Samples 6. Measuring and Calculating Elastic Properties of Polycrystals 7. Calorimetry 8. Isothermal Compressibility 9. Measuring the Heat of Sublimation ReferencesChapter VI The Theory of Thermodynamics 1. General Relationships 2. Specific Features of the Thermodynamics of Molecular Crystals. Introduction of the Characteristic Temperature 3. Experimental Characteristic Temperature 4. Thermodynamic Functions of a Naphthalene Crystal 5. Choice of an Optimal Quasi-Harmonic Model 6. Calculation of the Quasi-Harmonic Model by the Atom-Atom Potential Method ReferencesChapter VII Conformations of Organic Molecules 1. The Mechanical Model of a Molecule 2. Parameters for Conformational Calculations 3. Internal Rotation in Molecules 4. Conformations of Aliphatic Molecules 5. Ethylenic, Conjugated, and Aromatic Systems 6. Geometry of Molecules and Thermochemical Properties of Substances 7. Consistent Force Field ReferencesChapter VIII Conformations of Macromolecules and Biopolymers 1. The Structure of Stereoregular Macromolecules in Crystals 2. Conformations of Peptides and Proteins 3. Conformations of Polynucleotides and Nucleic Acids ReferencesAuthor IndexSubject Index