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This thesis addresses the design of crystal structures using hydrogen bonds. In particular, it focuses on the design of functionalities and the control over the packing of molecular assemblies, based on molecular designs.Firstly, the synthesis and evaluation of a proton–electron mixed conducting charge transfer salt is reported. Focusing on the difference in the strength of hydrogen bonds and weaker intermolecular interactions, a system was rationally designed and constructed where electron-conducting molecular wires were encapsulated within a proton-conducting matrix. Next, the investigation of structural phase transitions in a cocrystal consisting of hydrogen-bonded two-dimensional molecular assemblies is reported. Drastic rearrangements of hydrogen-bonded molecular assemblies in the cocrystal led to single-crystal-to-single-crystal phase transitions, resulting in anisotropic changes in the crystal shape. Furthermore, chemical modification of a component molecule in the cocrystal is reported. The modification afforded control over the stacking patterns of the two-dimensional molecular assemblies, i.e., sheets, and the mechanism was discussed considering the intersheet intermolecular interactions and molecular motion.It is suggested that hydrogen bonds are beneficial to construct molecular assemblies in molecular crystals because of their strength and well-defined directionality, and the consideration of coexisting weaker intermolecular interactions can lead to the design of whole crystal structures and, hence, functionalities. This thesis benefits students and researchers working on solid-state chemistry by presenting various methods for characterizing and evaluating the properties of molecular solids.

This open access book introduces the science of the new materials, soft crystals, by showing various interesting examples. Different from conventional hard and stable crystals, the soft crystals respond to gentle stimuli such as vapor exposure and rubbing but maintain their structural order. In this book, their exhibition of remarkable visual changes in their shape, color, and luminescence is described. Through the chapters, historical background, recent remarkable developments, and future prospects are described concisely. This book helps readers to understand a new concept of materials that have the characteristics of stimulus-sensitive soft matter and finely controlled crystals and to design novel materials with the characteristics. The English translation of this book from its Japanese language original manuscript was done with the help of artificial intelligence (machine translation by the service DeepL.com). The text has subsequently been revised further by a professional copy editor in order to refine the work stylistically.

Hot Topics in Crystal Engineering covers the design and synthesis of single crystalline solid-state materials, their properties and applications, focusing on the understanding and use of intermolecular interactions that constitute single crystalline materials. Many of the most modern materials, such as metal-organic frameworks (MOFs) capable of gas storage and separation, and selective entrapment of harmful substances, are the result of the rational use of crystal engineering. Topics covered in this work highlight breakthroughs in this rapidly developing field. This work offers a carefully chosen cross-section of the latest developments, some in their early infancy and some covered for the first time. - Provides comprehensive and authoritative articles, giving readers access to a wealth of information to fully support their research and activities - Covers the latest developments in crystal engineering, including topics which are in their early infancy - Written by leading international experts

An authoritative, updated text that offers an introduction to crystals and crystal structure with coverage of crystallography, and microscopy of materials Written in a friendly, non-mathematical style, the updated second edition of Crystals and Crystal Structures offers a comprehensive exploration of the key elements of crystals and crystal structures. Starting with the basics, it includes information on multiple areas of crystallography, including modulated structures, quasicrystals and protein crystallography, and interdisciplinary applications as diverse as the relationship between physical properties and symmetry. To enhance comprehension of the material presented, the book contains a variety of problems and exercises. The revised second edition offers new material and updates in the field including: An introduction to the use of high intensity X-ray analysis of protein structures Advances in imaging, scanning electron microscopy, and cryo-electron microscopy The relationship between symmetry and physical properties highlighting new findings and an introduction to tensor notation in describing these relationships in a concise fashion Nanoparticles as well as crystallographic aspects, defects, surface defects and the impact of these crystallographic features on properties Perovskite structures and their variations and the inclusion of their wide-ranging properties Written for students ofcrystallography, chemistry, physics, materials science, biosciences and geology, Crystals and Crystal Structures, Second Edition provides an understanding of the subject and enables students to read scientific papers and articles describing a crystal structure or use crystallographic databases.

Multi-component crystalline systems or co-crystals have received tremendous attention from academia and industry alike in the past decade. Applications of co-crystals are varied and are likely to positively impact a wide range of industries dealing with molecular solids. Co-crystallization has been used to improve the properties and performance of materials from pharmaceuticals to energetic materials, as well as for separation of compounds. This book combines co-crystal applications of commercial and practical interest from diverse fields in to a single volume. It also examines effective structural design of co-crystals, and provides insights into practical synthesis and characterization techniques. Providing a useful resource for postgraduate students new to applied co-crystal research and crystal engineering, it will also be of interest to established researchers in academia or industry.

This thesis focuses on the study of the optical response of new atomically thin two-dimensional crystals, principally the family of transition metal dichalcogenides like MoS2. One central theme of the thesis is the precise treatment of the linear and second-order nonlinear optical susceptibilities of atomically thin transition metal dichalcogenides. In addition to their significant scientific interest as fundamental material responses, these studies provide essential knowledge and convenient characterization tools for the application of these 2D materials in opto-electronic devices. Another important theme of the thesis is the valley physics of atomically thin transition metal dichalcogenides. It is shown that the degeneracy in the valley degree of freedom can be lifted and a valley polarization can be created using a magnetic field, which breaks time reversal symmetry in these materials. These findings enhance our basic understanding of the valley electronic states and open up new opportunities for valleytronic applications using two-dimensional materials.

This book by Kaplan and Vekhter brings together the molecular world of the chemist with the condensed matter world of the physicist. Prior to the collapse of the Soviet Union, chemists in the West devoted lit­ to relationships between molecular electronic structure and tle attention solid-state vibronic phenomena. Treating quantum mechanical problems wherein the adiabatic Born-Oppenheimer approximation fails was done by'brute force.'With bigger and better computers available in the West, molecular orbital calculations were done on observed and conceived static structures with little concern for any cooperativity of vibrational behavior that might connect these states. While it had long been understood in the West that situations do occur in which different static structures are found for molecules that have identical or nearly identical electronic structures, little attention had been paid to understanding the vibrational states that could connect such structures. It was easier to calculate the electronic structure observed with several possible distortions than to focus on ways to couple electronic and vibrational behavior. In the former Soviet Union, computational power was not as acces­ sible as in the West. Much greater attention, therefore, was devoted to conserving computational time by considering fundamental ways to han­ dle the vibrational connectivity between degenerate or nearly degenerate electronic states.

One of the most important aspects of solid materials is the regularity of the arrangement of the constituent molecules, that is, the long-range order. The focus of this book is on the contribution made by the ordering of bond orientations (as distinguished from the orientations of the molecules themselves) on the behavior of condensed systems, particularly their phase transitions. Examples in which bond-orientational effects play an important role are liquid crystals, quasicrystals, and two-dimensional crystals. This book contains contributions by many of the foremost researchers in the field. The chapters are tutorial reviews of the subject, written both for the active researcher looking for a review of a topic and for the graduate student investigating an exciting area of research. The contributions include an overview by J.D. Brock, Cornell; a discussion of computer simulation studies by K.J. Strandburg, Argonne; chapters on phase transition in hexatic liquid crystals by C.C. Huang, Minnesota and C.A. Murray, Texas A&M; and chapters on quasicrystals by S. Sachdev, Yale, M.V. Jaric, A.I. Goldman, Iowa State, and T.-L. Ho, Ohio State.

An excellent overview of the manifold aspects of modern crystal engineering. From design and preparation to spectroscopy and applications, this handbook both covers and evaluates all aspects of crystal engineering. Clearly structured, it provides an overview of the current status as seen from its various angles as well as a comparison of different techniques and applications. An essential source of high quality information for everyone working in this booming and interdisciplinary field: spectroscopists, physical and inorganic chemists as well as materials scientists working in nanotechnology and the pharmaceutical industry.

Crystallography plays an important part in a wide range of disciplines, including biology, chemistry, materials science and technology, mineralogy, physics, and engineering. Crystals and Crystal Structures is an introductory text for students and others who need to enable students to read scientific papers and articles describing a crystal structure or use enable stude3nts to read scientific papers and articles describing a crystal structure or use crystallographic databases with confidence and understanding. Reflecting the interdisciplinary nature of the subject, the book includes a variety of applications as diverse as the relationship between physical properties and symmetry, and molecular and protein crystallography. As well as covering the basics the book contains an introduction to areas of crystallography, such as modulated structures and quasicrystals, and protein crystallography, which are the subject of important and active research. Features A non-mathematical introduction to the key elements o the subject Contains numerous applications across a variety of disciplines Includes a range of problems and exercises Written by an author with many years teaching and research experience Crystals and Crystal Structures will prove invaluable to students taking an introductory course in crystallography in departments of chemistry, physics, materials science, biosciences and geology.

Nanostructured materials have at least one dimension in the nanometer range. They became a very active research area in solid state physics and chemistry in recent years with anticipated applications in various domains, including solar cells, electronics, batteries and sensors. Nanocrystalline metals and oxides are dense polycrystalline solids with a mean grain size below 100 nm. This book is intended to give an overview on selected properties and applications of nanocrystalline metals and oxides by leading experts in the field. The first three chapters provide a very complete theoretical treatment of thermodynamics and atom/ion transport for nanocrystalline materials. The following chapters are experts'views on the development of experimental characterization techniques for nanocrystalline solids with emphasis on electroceramic materials. Nanocrystalline Metals and Oxides is intended for a broad range of readers, foremost chemists, physicists and materials scientists. Theoretical physicists and chemists will certainly also profit from this book. The electroceramics and solid state ionics community are particularly addressed, given the main interests of the editors.

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.

What is the origin of life? Molecular biology shows us one kind, but in thinking about it we must consider those generalised aspects of living organisation that are common to all conceivable forms of life. The author believes that only a combination of general biological theory and particular chemical knowledge can solve the problems of the origin and re-creation of life. This book does not fall into either the classical Haldane or Oparin schools of thought on the origin of life, but advances a thesis of its own, which, according to Professor C.H. Waddington, is one of the most important recent intellectual developments in this field.Part I considers the role of molecular biology in formulating a view of life as it exists now. Part II turns to more general aspects of the organisation of matter. In Part III the author advances his own theories on the origin of life—theories which are both revolutionary and reactionary. As he remarks,'If my conclusions are correct it may be difficult to find the right system, but it would be easy to make a very simple organism once we have.'