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.

Prof. Baev presents in his book the development of the thermodynamic theory of specific intermolecular interactions for a wide spectrum of organic compounds: ethers, ketones, alcohols, carboxylic acids, and hydrocarbons. The fundamentals of an unconventional approach to the theory of H-bonding and specific interactions are formulated based on a concept of pentacoordinate carbon atoms. New types of hydrogen bonds and specific interactions are substantiated and on the basis of the developed methodology their energies are determined. The system of interconnected quantitative characteristics of the stability of specific intermolecular interactions is presented. The laws of their transformations are discussed and summarized. The new concept of the extra stabilizing effect of isomeric methyl groups on the structure and stability of organic molecules is introduced and the destabilization action on specific interactions is outlined.

The field of crystal engineering concerns the design and synthesis of molecular crystals with desired properties. This requires an in-depth understanding of the intermolecular interactions within crystal structures. This new book brings together the latest information and theories about intermolecular bonding, providing an introductory text for graduates. The book is divided into three parts. The first part covers the nature, physical meaning and methods for identification and analysis of intermolecular bonds. The second part explains the different types of bond known to occur in molecular crystals, with each chapter written by a specialist in that specific bond type. The final part discusses the cooperativity effects of different bond types present in one solid. This comprehensive textbook will provide a valuable resource for all students and researchers in the field of crystallography, materials science and supramolecular chemistry.

A comprehensive overview of synthetic strategies for nonaromatic nitrogen heterocycles Nitrogen heterocycles are extremely widely distributed in nature, as well as in synthetic substances found in pharmaceuticals, agrochemicals, and materials chemistry. With new structures and medicines that include these structures emerging yearly, and a vast new journal literature to describe them, anyone who wants to be effective in R&D needs to easily access a synthesis of the latest research. This state-of-the-art survey explores recent developments in the most widely used reactions, as well as completely new ones. Highlights the major modern synthetic methods known to obtain nonaromatic nitrogen heterocycles, and their practical applications Topics include enantioselective synthesis and catalysis, photocatalysis, biocatalysis, microwave-assisted synthesis, reactions of oximes and nitrones, and ionic liquids Discusses how to synthesize rings of specific sizes Covers sustainable synthetic approaches for obtaining salts Whether you are using nonaromatic nitrogen compounds as an academic researcher, a synthetic chemist in industry, or an advanced student, this book is an essential, up-to-date resource to support your work.

Crystallizing a rapidly expanding interdisciplinary field and one of the most popular and newsworthy areas in contemporary chemistry, this two-volume encyclopaedia offers authoritative information with user-friendly and high-quality articles.

Proceedings of the Second Structural Chemistry Indaba held in Kruger Park, South Africa, August 3-8, 1997

Table of contents P.L.A. Popelier: Quantum Chemical Topology: on Bonds and Potentials.- A. Soncini, P.W. Fowler, L.W. Jenneskens: Angular Momentum and Spectral Decomposition of Ring Currents: Aromaticity and the Annulene Model.- S.L. Price, L.S. Price: Modelling Intermolecular Forces for Organic Crystal Structure Prediction.- C. Millot: Molecular Dynamics Simulations and Intermolecular Forces.- S. Tsuzuki: Interactions with Aromatic Rings

The chemistry that occurs within confined spaces is the product of a collection of forces, often beyond the molecule, and is not easily ascribed to singular factors. There is a breadth of material types that can define a confined space (e.g. macrocycles, interlocked molecules, porous and non-porous crystals, organic and inorganic/coordination cages) which are rarely discussed together. Studies of supramolecular entities in the solution and solid states are also not often compared in the same discussion, even though the concepts are often similar or can be easily transferred between the two. Chapters in this book combine classical host-guest chemistry with catalysis, reactivity, and modern supramolecular chemistry. They cover the many different technologies used to describe and understand reactivity in confined spaces in one accessible title. With contributions from leading experts, Reactivity in Confined Spaces will be relevant for graduate students and researchers working in supramolecular chemistry, both organic- and inorganic-based, homogeneous and heterogeneous catalysis, polymer chemistry, and materials science in general.

Molecular modeling (MM) tools offer significant benefits in the design of industrial chemical plants and material processing operations. While the role of MM in biological fields is well established, in most cases MM works as an accessory in novel products/materials development rather than a tool for direct innovation. As a result, MM engineers and