Fundamentals Of Structural Chemistry

This book focuses on two main topics in fundamental structural chemistry: the properties of chemical bonding derived from the behavior of the microscopic particles and their wave functions, and the three-dimensional molecular and crystal structures. The principle that ?structure determines properties and properties reflect structures? is clearly demonstrated. This book emphasizes practical examples linking structure with properties and applications which provide invaluable insight for students, thus stimulating their mind to deal with problems in the topics concerned.

A concise description of models and quantitative parameters in structural chemistry and their interrelations, with 280 tables and >3000 references giving the most up-to-date experimental data on energy characteristics of atoms, molecules and crystals (ionisation potentials, electron affinities, bond energies, heats of phase transitions, band and lattice energies), optical properties (refractive index, polarisability), spectroscopic characteristics and geometrical parameters (bond distances and angles, coordination numbers) of substances in gaseous, liquid and solid states, in glasses and melts, for various thermodynamic conditions. Systems of metallic, covalent, ionic and van der Waals radii, effective atomic charges and other empirical and semi-empirical models are critically revised. Special attention is given to new and growing areas: structural studies of solids under high pressures and van der Waals molecules in gases. The book is addressed to researchers, academics, postgraduates and advanced-course students in crystallography, materials science, physical chemistry of solids.

This book leaves the conventional view of chemical structures far behind: it demonstrates how a wealth of valuable, but hitherto unused information can be extracted from available structural data. For example, a single structure determination does not reveal much about a reaction pathway, but a sufficiently large number of comparable structures does. Finding the 'right' question is as important as is the intelligent use of crystallographic databases. Contributions by F.H. Allen, T.L. Blundell, I.D. Brown, H.B. Bürgi, J.D. Dunitz, L. Leiserowitz and others, authoritatively discuss the structure correlation method as well as illustrative results in detail, covering such apparently unrelated subjects as * Bond strength relations in soldis * Crystal structure prediction * Reaction pathways of organic molecules * Ligand/receptor interactions and enzyme mechanisms This book will be useful to the academic and industrial reader alike. It offers both fundamental aspects and diverse applications of what will surely become a powerful branch of structural chemistry.

'This is a book for crystal chemistry lovers written by one of the pioneers of solid-state chemistry.'MRS BulletinDevoted to a diverse group of solid state scientists, the book has two objectives, both relating to structural chemistry: (i) a progressive analytic familiarization with the main parameters that govern the organization of crystallized matter and related crystal structures, (ii) a study of what are the various ways to 'read' a structure far beyond its representation in scientific articles. Hence, the reader will, from numerous examples illustrated in color, analyze what are the main characteristics of these structures, from their geometric characteristics, their coordination polyhedra, their connections with the resulting dimensionalities of these solids, including also the defects they exhibit, before looking at possibilities to classify structures, within which recurrence laws can emerge.Chemists are required to understand the potentials of a new structure for becoming future materials scientists. The first part of the book is by no means a database for known structures, but facilitates a progressive understanding of the organization of the solid state. With these tools in hand, the reader is invited in the later part of the book to analyze new structures, and to also use new concepts for viewing structures in a more synthetic way for the future. Such new vision is already leading to the creation of completely new solids with outstanding characteristics that find applications in societal problems concerning energy, energy savings, environment and health.The content is not exclusively academic but relates to the creation of innovative materials, through a more physical approach, that might condition the future of materials.

Determining the structure of molecules is a fundamental skill that all chemists must learn. Structural Methods in Molecular Inorganic Chemistry is designed to help readers interpret experimental data, understand the material published in modern journals of inorganic chemistry, and make decisions about what techniques will be the most useful in solving particular structural problems. Following a general introduction to the tools and concepts in structural chemistry, the following topics are covered in detail: • computational chemistry • nuclear magnetic resonance spectroscopy • electron paramagnetic resonance spectroscopy • Mössbauer spectroscopy • rotational spectra and rotational structure • vibrational spectroscopy • electronic characterization techniques • diffraction methods • mass spectrometry The final chapter presents a series of case histories, illustrating how chemists have applied a broad range of structural techniques to interpret and understand chemical systems. Throughout the textbook a strong connection is made between theoretical topics and the real world of practicing chemists. Each chapter concludes with problems and discussion questions, and a supporting website contains additional advanced material. Structural Methods in Molecular Inorganic Chemistry is an extensive update and sequel to the successful textbook Structural Methods in Inorganic Chemistry by Ebsworth, Rankin and Cradock. It is essential reading for all advanced students of chemistry, and a handy reference source for the professional chemist.

This book explains key concepts in theoretical chemistry and explores practical applications in structural chemistry. For experimentalists, it highlights concepts that explain the underlying mechanisms of observed phenomena, and at the same time provides theoreticians with explanations of the principles and techniques that are important in property design. Themes covered include conceptual and applied wave functions and density functional theory (DFT) methods, electronegativity and hard and soft (Lewis) acid and base (HSAB) concepts, hybridization and aromaticity, molecular magnetism, spin transition and thermochromism. Offering insights into designing new properties in advanced functional materials, it is a valuable resource for undergraduates of physical chemistry, cluster chemistry and structure/reactivity courses as well as graduates and researchers in the fields of physical chemistry, chemical modeling and functional materials.

Fundamentals of Molecular Structural Biology reviews the mathematical and physical foundations of molecular structural biology. Based on these fundamental concepts, it then describes molecular structure and explains basic genetic mechanisms. Given the increasingly interdisciplinary nature of research, early career researchers and those shifting into an adjacent field often require a "fundamentals" book to get them up-to-speed on the foundations of a particular field. This book fills that niche. Provides a current and easily digestible resource on molecular structural biology, discussing both foundations and the latest advances Addresses critical issues surrounding macromolecular structures, such as structure-based drug discovery, single-particle analysis, computational molecular biology/molecular dynamic simulation, cell signaling and immune response, macromolecular assemblies, and systems biology Presents discussions that ultimately lead the reader toward a more detailed understanding of the basis and origin of disease

The fifth edition of this widely acclaimed work has been reissued as part of the Oxford Classic Texts series. The book includes a clear exposition of general topics concerning the structures of solids, and a systematic description of the structural chemistry of elements and their compounds. The book is divided into two parts. Part I deals with a number of general topics, including the properties of polyhedra, the nature and symmetry of repeating patterns, and the ways in which spheres, of the same or different sizes, can be packed together. In Part II the structural chemistry of the elements is described systematically, arranged according to the groups of the Periodic Table.