Technological and computational advances in the past decade have meant a vast increase in the study of crystalline matter in both organic, inorganic and organometallic molecules. These studies revealed information about the conformation of molecules and their coordination geometry as well as the role of intermolecular interactions in molecular packing especially in the presence of different intermolecular interactions in solids. This resulting knowledge plays a significant role in the design of improved medicinal, mechanical, and electronic properties of single and multi-component solids in their crystalline state. Understanding Intermolecular Interactions in the Solid State explores the different techniques used to investigate the interactions, including hydrogen and halogen bonds, lone pair-pi, and pi-pi interactions, and their role in crystal formation. From experimental to computational approaches, the book covers the latest techniques in crystallography, ranging from high pressure and in situ crystallization to crystal structure prediction and charge density analysis. Thus this book provides a strong introductory platform to those new to this field and an overview for those already working in the area. A useful resource for higher level undergraduates, postgraduates and researchers across crystal engineering, crystallography, physical chemistry, solid-state chemistry, supramolecular chemistry and materials science.

Perspectives in Supramolecular Chemistry will relate recent developments and new exciting approaches in supramolecular chemistry. In supramolecular chemistry, our aim is to understand molecular chemistry beyond the covalent bond - the series will concentrate on goal-orientated supramolecular chemistry. Perspectives in Supramolecular Chemistry will reflect research which develops supramolecular structures with specific new properties, such as recognition, transport and simulation of biosystems or new materials. The series will cover all areas from theoretical and modelling aspects through organic and inorganic chemistry and biochemistry to materials, solid-state and polymer sciences reflecting the many and varied applications of supramolecular structures in modern chemistry. Transition Metals in Supramolecular Chemistry Edited by Jean-Pierre Sauvage, Université Louis Pasteur, Strasbourg, France The chemistry of weak forces and non-covalent interactions as pioneered by Pedersen, Lehn and Cram is considered to be the origin of modern supramolecular chemistry. 30 years ago transition metals and their complexes were not regarded as important to this science. Transition Metals in Supramolecular Chemistry clearly demonstrates that today, transition metal complexes are routinely used to build large multicomponent architectures which display new and exciting applications including molecular switches, liquid crystals, and molecular magnets. Contents

1. Ligand and Metal Control of Self-Assembly in Supramolecular Chemistry
2. Bistability in Iron (II) Spin-Crossover Systems: A Supramolecular Function
3. Luminescent Sensors with and for Transition Metals
4. The Chirality of Polynuclear Transition Metal Complexes
5. Design and Serendipity in the Synthesis of Polynuclear Compounds of the 3d-metals
6. Rotaxanes: From Random to Transition Metal-Templated Threading of Rings at the Molecular Level
7. Metallomesogens — Supramolecular Organisation of Metal Complexes in Fluid Phases
8. Self-Assembly of Interlocked Structures with Cucurbituril Metal Ions and Metal Complexes

This book is intended as an easy to read supplement to the often brief descriptions of hydrogen bonding found in most undergraduate chemistry and molecular biology textbooks. It describes and discusses current ideas concerning hydrogen bonds ranging from the very strong to the very weak, with introductions to the experimental and theoretical methods involved.

This book deals with the phenomenological theory of first-order structural phase transitions, with a special emphasis on reconstructive transformations in which a group-subgroup relationship between the symmetries of the phases is absent. It starts with a unified presentation of the current approach to first-order phase transitions, using the more recent results of the Landau theory of phase transitions and of the theory of singularities. A general theory of reconstructive phase transitions is then formulated, in which the structures surrounding a transition are expressed in terms of density-waves, providing a natural definition of the transition order-parameters, and a description of the corresponding phase diagrams and relevant physical properties. The applicability of the theory is illustrated by a large number of concrete examples pertaining to the various classes of reconstructive transitions: allotropic transformations of the elements, displacive and order-disorder transformations in metals, alloys and related structures, crystal-quasicrystal transformations.

This textbook is a complete and clear introduction to the field of crystallography. It includes an extensive discussion on the 14 Bravais lattices and their reciprocals, the basic concepts of point- and space-group symmetry, the crystal structure of elements and binary compounds, and much more. The purpose of this textbook is to illustrate rather than describe "using many words" the structure of materials. Even readers who are completely unfamiliar with the topic, but still interested in learning how the atoms are arranged in crystal structures, will find this book immensely useful. Each chapter is accompanied by exercises designed to encourage students to explore the different crystal structures they are learning about. The solutions to the exercises are also provided at the end of the book.

Self-sufficient and user-friendly, this book provides a complete introduction to the anisotropic elasticity theory necessary to model a wide range of crystal defects. Assuming little prior knowledge of the subject, the reader is first walked through the required basic mathematical techniques and methods. This is followed by treatments of point, line, planar and volume type defects such as vacancies, dislocations, grain boundaries, inhomogeneities and inclusions. Included are analyses of their elastic fields, interactions with imposed stresses and image stresses, and interactions with other defects, all employing the basic methods introduced earlier. This step by step approach, aided by numerous exercises with solutions provided, strengthens the reader's understanding of the principles involved, extending it well beyond the immediate scope of the book. As the first comprehensive review of anisotropic elasticity theory for crystal defects, this text is ideal for both graduate students and professional researchers.

Series Information:
Liquid Crystals

In recent years, there has been increasing activity in the research and design of optical systems based on liquid crystal (LC) science. Bringing together contributions from leading figures in industry and academia, Optical Applications of Liquid Crystals covers the range of existing applications as well as those in development. Unique in its thorough coverage of applications, not just the basic chemistry and physics of liquid crystals, the book begins with the existing applications of liquid crystals, from the ubiquitous LCD through to LC projectors and holography. The remaining chapters discuss more promising technologies in development, including photoaligning, photopatterning, and bistable twisted nematic LCs.

A Century of Separation Science presents an historical, as well as technical, perspective of the critical developments in separation science since 1900, covering recent advances in chromatography, electrophoresis, field-flow fractionation, contercurrent chromatography, adn supercritical fluid chromatography for high-speed and high-throughput analysis. The author also discusses the theory of gradient elution and solvent selection for optimal separation in liquid chromatography.

The aim of this text is to provide some insight into chemical defects in crystalline solids. Chemical defects, which are mistakes or changes in the atomic make-up of the crystals, have far-reaching effects on the composition, optical properties and electronic properties of materials. The area is therefore of relevance to chemists, physicists, materials scientists and engineers. The book has been designed to be read by students with no prior knowledge of the subject, but with a background in basic chemistry and physics. It begins with relatively simple ideas but progresses into a discussion of complex materials, at the forefront of research in the field. The links between principles and applications have been strengthened in the text by the inclusion of a series of case studies. In addition, the crystal structures that are of most importance have been described throughout the book in a series of boxes, to provide a crystallographic reference within the text.

In the past decade, a number of orientational effects have been observed, produced by the passage of charged particles through crystals. These effects have a wide application in solid state physics, nuclear physics and the physics of hyperfine interactions. This book is not a survey but an introduction to this rapidly expanding branch of physics devoted to orientational effects and in particular to particle channelling in crystals. In it the authors discuss the interaction of charged particle beams with crystals and analyze the derivation of the fundamental equations describing this interaction. The channelling effect, the spatial redistribution of the particle flux and in the crystal lattice, and the problem of determining the position of an implanted atom in the lattice cell are also examined in detail. Student and postgraduate researchers as well as scientists and engineers working in experimental nuclear physics on the production of new materials and the physics of orientational effects, ion doping and solid state radiation physics may find this study useful.

The present volume continues the aim of Structure Reports to present critical accounts of all crystallographic structure determinations. Details of the arrange­ ment in the volumes, symbols used etc. are given in previous volumes (e. g. 41B or 42A, pages vi-viü). University of Guelph, G. FERGUSON Guelph, Ontario, Canada 1 May, 1993 STR UCTURE REPORTS for 1985 Volume52B Part2 STRUCTURE REPORTS for 1985 Valurne 52B (Part 2) ORGANIC SECTION General editor G. Ferguson Section editor G. Ferguson Published for the INTERNATIONAL UNION OF CRYSTALLOGRAPHY SPRINGER-SCIENCE+BUSINESS MEDIA, B. V. TABLE OF CONTENTS Introduction, VI Transition-metal Compounds (continued), 1103 Subject Index, 1902 Permuted Subject Index, 1993 Formula Index, 2053 Permuted Formula Index, 2078 Author Index, 2102 STRUCTURE REPORTS SECTIONID ORGANIC COMPOUNDS Edited by G. Ferguson with the assistance of C. H. Morgan D. F. Rendie S. J. Rettig S. N. Scrimgeour T. J. R. Weakley C. C. Wilson D. W. Young 2 ARRANGEMENT To find a particular organic or organometallic compound consult one of the indices (subject, permuted subject, formula or permuted formula) at the end of Part 2 of this volume. The general arrangement follows the classification used in the Cambridge Crystallographic Data Base and is: aliphatic or open chain compounds; open chains with N, S; benzene derivatives; c cyclic hydrocarbons; condensed ring systems; heterocyclic compounds; carbohydrates; amino acids; natural products; molecular complexes; organometallic compounds - B, Si, P, AJJ, Sb, groups lA, IIA, III, IV, VI; transition meta! complexes - . .

This volume contains most of the invited lectures of the 2nd Structural Chemistry Indaba on "Molecular Interactions," held at Skukuza, Kruger Park, South Africa, August 3- 8, 1997. While the 1995 conference concentrated more on the principles underlying molecular modeling, like the existence of a molecular shape, this conference centers on molecular interactions or, more generally, on molecules in environments. Unfortunately, it was impossible, for various reasons, to unite all invited lectures in this volume, but nevertheless this collection contains contributions ranging from the fundamental quantum mechanical theory to recent research on organometallic crystals. For a summary, I would like to refer the reader to the introductory chapter by S.O. Sommerer, based on his concluding remarks at the conference. WemerGans for the editors v CONTENTS Intermolecular Interactions ...S. O. Sommerer Intermolecular Bonding ...3 1. C. A. Boeyens Chemical Reactions in the Framework of Single Quantum Systems ...9 A. Amann The Molecule and Its Environment ...25 ...B. T. Sutcliffe Dynamic Aspects of Intermolecular Interactions ...49 ...1. F. Ogilvie Atomic Interactions and the Charge Density ...5 7 ...T. Koritsanszky 71 Cyclometallation of Alkylphosphines M. T. Benson and T. R. Cundari C-H-. *0 Hydrogen Bonds in Organometallic Crystals 83 D. Braga and F. Grepioni The Importance of Intra-and Intermolecular Weak Bonds in Transition Metal Coordination Compounds ...97 P. Comba Relationships between Experiment and Theory in the Study of Intermolecular Interactions ...111 ...

For the last fifty years, X-ray crystallography and allied methods have been one of the most important analytical techniques for chemical analysis. With improved equipment, computers, and programs, the time required for such determinations has been reduced from months to hours. However, crystallography has never found its way into chemical education. There are many reasons for this failure, but the result has been most chemists having little understanding of the method beyond operating equipment and running black box programs.This book provides a basic education on crystallographic methods. As much as possible, it is non-mathematical, and written in language that chemists use. It is designed for the instruction of senior undergraduate students and beginning graduate students, but will also be of interest to any chemist who has had no instruction in crystallography. Much of the book provides information that can be used by chemists who do not plan to conduct crystallographic studies themselves.