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Do you need to design syntheses that are * highly selective * fast * enantioselective with quantitative enantiomeric yield? This book describes in detail how best to exploit the enormous synthetic potential of solid state reactions. Written by leading experts, it provides in-depth information on * the theoretical and physico-chemical approach to solid state reactions * solid-to-solid organic reactions * stereoselective solid state photoreactions * reactivity and crystal structure An ideal companion to Dunitz and Bürgi's 'Structure Correlation', this book will be highly useful to synthetic organic chemists, stereochemists, crystallographers, and solid-state chemists
Reporting on advances in the field of molecular solid state chemistry, each volume focuses on selected areas and highlights methods and results in syntheses, properties and applications. The volumes in this series provide a forum for the discussion of chemical, physical, biological and crystallographic aspects of the molecular solid state. Eight chapters focus on the theoretical aspects of the reactivity of solids and the applications that are of practical importance. In a collection of reviews that highlight hot topics in the field of molecular solids, the authors of this volume emphasise the problems facing them. Contents: Interplay between Intra- and Intermolecular Interactions in Solid-State Reactions Cooperative Effects in Solid State Reactions Some Aspects of Bimolecular Photoreactions in Crystals Kinetics and Spatial Propagation of Intramolecular Reactions in Solids Kinetic Descriptions of the Simplest Bimolecular Reactions in Organic Solids Radical Solid-State Reactions at High Pressure Polymorphs and Solvates of Molecular Solids in the Pharmaceutical Industry Mechanochemical Synthesis and Mechanical Activation of Drugs. Reactivity of Molecular Solids will be of interest to all chemists working in the pharmaceutical, fine chemicals and food industries, and also in molecular electronics and materials science.
This book highlights the current state-of-the-art regarding the application of applied crystallographic methodologies for understanding, predicting and controlling the transformation from the molecular to crystalline state with the latter exhibiting pre-defined properties. This philosophy is built around the fundamental principles underpinning the three inter-connected themes of Form (what), Formation (how) and Function (why). Topics covered include: molecular and crystal structure, chirality and ferromagnetism, supramolecular assembly, defects and reactivity, morphology and surface energetics. Approaches for preparing crystals and nano-crystals with novel physical, chemical and mechanical properties include: crystallisation, seeding, phase diagrams, polymorphic control, chiral separation, ultrasonic techniques and mechano-chemistry. The vision is realised through examination of a range of advanced analytical characterisation techniques including in-situ studies. The work is underpinned through an unprecedented structural perspective of molecular features, solid-state packing arrangements and surface energetics as well as in-situ studies. This work will be of interest to researchers, industrialists, intellectual property specialists and policy makers interested in the latest developments in the design and supply of advanced high added-value organic solid-form materials and product composites.
Interest in organic molecular solids extends to a range of fields including chemistry, physics, electrical engineering, and materials science. In chemistry, it applies to such topics as solid state reactivity, crystal engineering, theoretical approaches to crystal structure determination, and morphology control. In physics, electrical engineering, and materials science, the possibility of producing organic-based materials (such as crystals, polymers, thin films, or liquid crystals) with potential electronic, opto-electronic, and magnetic uses is a major area of current research interest throughout the world. Organic Molecular Solids examines the uses of organic-based materials over a wide range of applications and interests. Each chapter surveys a relevant topic, providing appropriate introductory background information and modern developments.
Molecular reaction dynamics is the study of chemical and physical transformations of matter at the molecular level. The understanding of how chemical reactions occur and how to control them is fundamental to chemists and interdisciplinary areas such as materials and nanoscience, rational drug design, environmental and astrochemistry. This book provides a thorough foundation to this area. The first half is introductory, detailing experimental techniques for initiating and probing reaction dynamics and the essential insights that have been gained. The second part explores key areas including photoselective chemistry, stereochemistry, chemical reactions in real time and chemical reaction dynamics in solutions and interfaces. Typical of the new challenges are molecular machines, enzyme action and molecular control. With problem sets included, this book is suitable for advanced undergraduate and graduate students, as well as being supplementary to chemical kinetics, physical chemistry, biophysics and materials science courses, and as a primer for practising scientists.
Over the past 25 years, the molecular electrostatic potential has become firmly established as an effective guide to molecular interactions. With the recent advances in computational technology, it is currently being applied to a variety of important chemical and biological systems. Its range of applicability has expanded from primarily a focus on sites for electrophilic and nucleophilic attack to now include solvent effects, studies of zeolite, molecular cluster and crystal behavior, and the correlation and prediction of a wide range of macroscopic properties. Moreover, the increasing prominence of density functional theory has raised the molecular electrostatic potential to a new stature on a more fundamental conceptual level. It is rigorously defined in terms of the electron density, and has very interesting topological characteristics since it explicitly reflects opposing contributions from the nuclei and the electrons.This volume opens with a survey chapter by one of the original pioneers of the use of the electrostatic potential in studies of chemical reactivity, Jacopo Tomasi. Though the flow of the succeeding chapters is not stringently defined, the overall trend is that the emphasis changes gradually from methodology to applications. Chapters discussing more theoretical topics are placed near the end. Readers will find the wide variety of topics provided by an international group of authors both convincing and useful.
Interest in organic molecular solids extends to a range of fields including chemistry, physics, electrical engineering, and materials science. In chemistry, it applies to such topics as solid state reactivity, crystal engineering, theoretical approaches to crystal structure determination, and morphology control. In physics, electrical engineering, and materials science, the possibility of producing organic-based materials (such as crystals, polymers, thin films, or liquid crystals) with potential electronic, opto-electronic, and magnetic uses is a major area of current research interest throughout the world. Organic Molecular Solids examines the uses of organic-based materials over a wide range of applications and interests. Each chapter surveys a relevant topic, providing appropriate introductory background information and modern developments.
Recent years have seen tremendous progress in research on cold and controlled molecular collisions, both in theory and in experiment. The advent of techniques to prepare cold and ultracold molecules and ions, to store them in optical lattices or in charged quasicristalline structures, and to use them in crossed or merged beam experiments have opened many new possibilities to study the most fundamental aspects of molecular interactions. At the same time, theoretical work has made progress in tackling these problems and accurately describing quantum effects in complex systems, and in proposing viable options to control chemical reactions at ultralow energies. Through tutorials on both the theoretical and experimental aspects of research in cold and ultracold molecular collisions, this book provides advanced undergraduate students, graduate students and researchers with the foundations needed to understand this exciting field.
Most organic reactions have long been carried out in organic solvents without concern for their real necessity, reaction efficiency, and pollution problems. Very recently, we have found that most organic reactions can be carried out in the absence of a solvent, namely, in the solid state. In many cases, the solid-state reaction proceeds more easily and efficiently, and even more selectively than solution reaction. This shows that molecules move easily and selectively in the solid state. This finding changed the classical idea which suggests "molecules do not move and reactions do not occur in the solid state", and opened up a new research field for the study molecular dynamics in the solid state. The organic solid state reactions have many possibilities to be developed. For example, enantioselective reactions can easily be accomplished by carrying out the reaction in an inclusion complex crystal with an optically active host compound. Catalytic reactions also proceed in the solid state. Moreover, the solid-state reactions are more economical and ecologically sound. In the future, pollution-free synthetic procedures in the solid state will become increasingly important, not only in chemical industries but also in university laboratories.
High-pressure materials research has been revolutionized in the past few years due to technological breakthroughs in the diamond anvil cell (DAC), shock wave compression and molecular dynamic simulation (MD) methods. The application of high pressure, especially together with high temperature, has revealed exciting modifications of physical and chemical properties even in the simplest molecular materials.Besides the fundamental importance of these studies to understand the composition and the dynamics of heart and planets' interior, new materials possessing peculiar characteristics of hardness and composition have been synthesized at very high pressure, while unexpected chemical reactions of simple molecules to polymers and amorphous compounds have been found at milder conditions.The variety of the phenomena observed in these extreme conditions and of the materials involved provides a common ground bridging scientific communities with different cultural and experimental backgrounds. This monograph will provide a timely opportunity to report on recent progress in the field.