Structure and Properties of Molecular Crystals: (Studies in Physical and Theoretical Chemistry)

The purpose of this book is to focus attention on crystallographic research on molecular crystals. In recent years, molecular crystals have ceased to be regarded as mere laboratory curiosities, especially since they have begun to make their appearance in the industrial field. This volume consists of three parts comprising six chapters. Part one is devoted to various aspects of the study of crystals. A knowledge of the three-dimensional structure of molecules is absolutely essential in order to understand the nature of chemical bonds and the mechanism and dynamics of reactions. Chapter one deals with the study of molecular structures by X-ray diffraction. This brings out the results that one may expect from the analysis of crystal structures. Recent results concerning molecular conformation and chemical reactivity are also described. By means of numerous examples, chapter two illustrates the importance of studying organic reactions in the solid state. A number of new reactions are also presented. In the future, crystallography may be used to predict crystal structures. Crystal engineering is of the utmost importance in designing new materials.

Table of Contents:
Contents. Chapter 1. Crystallography, a unique method of investigation in chemistry (M. Pierrot and J. Estienne). Introduction. The study of molecules by crystal structure analysis. Some features derived from recent crystallographic data. From crystallography to quasi-crystallography. Conclusion. Acknowledgement. References. Chapter 2. Organic reactions in the solid state (R. Perrin and R. Lamartine). Introduction. Mechanisms and concepts for organic solid-state reactions. New organic solid state reactions. Asymmetric syntheses. Polymerisation and polycondensation. Conclusion. References. Chapter 3. Intermolecular energies and packing modes in organic crystals (R. Destro and A. Gavezzotti). General perspective of empirical crystal potentials. The interpretation of crystal packing on geometrical grounds. Crystal electrostatics from X-ray diffraction experiments. Crystal reactivity and reactivity in crystals. Conclusions and perspectives. References. Chapter 4. Structural aspects of polymorphism and phase transition in organic molecular crystals (F. Bayard, C. Decoret and J. Royer). Introduction. History. Soft modes and displacive transitions. Plastic crystalline state. Conformational polymorphism. Methods of studying molecular motion. Theoretical approaches. Uses of crystal potential energy calculations. Interface geometrical model of polymorphic transformation. Conclusion. References. Chapter 5. Organic conductors (K. Bechgaard). Introduction. The interest in low dimensionality. Theoretical aspects of conducting in quasi 1-D materials. Geometry of molecular stacks in quasi low-D materials. Charge transfer. What kind of molecules are useful in forming conducting solids. Two chain materials. Single chain cation radical salts (TMTTF and TMTSF series). BEDTTTF 2 X materials. Other superconductors from molecules related to BEDTTTF and TMTSF. Other materials. Design of new organic conductors. Recent developments. References. Chapter 6. A joint optical and crystallographic approach to molecular engineering (J. Zyss and G. Tsoucaris). Microscopic and macroscopic optical nonlinearities. Considerations on the dimensionality of charge transfer molecular crystals and material optimization. Molecular crystal engineering. Examples of N.L.O. materials. Conclusion. References. Subject Index.