Crystal Structure Determination
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Crystal Structure Determination
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Author : Werner Massa
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-09
Crystal Structure Determination written by Werner Massa and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-09 with Science categories.
To solve a crystal structure means to determine the precise spatial arrangements of all of the atoms in a chemical compound in the crystalline state. This knowledge gives a chemist access to a large range of information, induding connectivity, conformation, and accurate bond lengths and angles. In addition, it implies the stoichiometry, the density, the symmetry and the three dimensional packing of the atoms in the solid. Since interatomic distances are in the region of 100-300 pm or 1-3 A, I microscopy using visible light ( wavelength Je ca. 300-700 nm) is not applicable (Fig. l. l). In 1912, Max von Laue showed that crystals are based on a three dimensional lattice which scatters radiation with a wavelength in the vicinity of interatomic distances, i. e. X -rays with Je = 50-300 pm. The process by wh ich this radiation, without changing its wave length, is converted through interference by the lattice to a vast number of observable "reflections" with characteristic directions in space is called X-ray diffraction. The method by which the directions and the intensities of these reflections are measured, and the ordering of the atoms in the crystal deduced from them, is called X -ray struc ture analysis. The following chapter deals with the lattice properties of crystals, the starting point for the explanation of these interference phenomena. Interatomic distances Crystals . . . . . . . . . .
Theories And Techniques Of Crystal Structure Determination
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Author : Uri Shmueli
language : en
Publisher: International Union of Crystal
Release Date : 2007-06-07
Theories And Techniques Of Crystal Structure Determination written by Uri Shmueli and has been published by International Union of Crystal this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-06-07 with Language Arts & Disciplines categories.
This concise book is for chemists, material scientists, and physicists who deal with description of crystalline matter and the determination of its structure, and would like to gain more understanding of the principles involved. The main purpose of the book is to introduce the reader to principles of crystallographic symmetry, to discuss some traditional, as well as modern, experimental techniques, to formulate the phase problem of crystallography, and present in some detail themethods for its indirect and direct solution which are indispensable for further work. The book also contains discussions of structure-factor statistics, of value for resolving space-group ambiguities, and atomic displacement parameters which form an inseparable part of the structure. A discussion ofthe refinement of structural parameters, conventional, constrained and restrained, concludes the book. Derivations are, as far as possible, self contained and wherever mathematical detail might disrupt the line of reasoning the reader is referred to one of four appendices present in the book. The book is of course valuable for students of crystallography at a graduate and upper undergraduate level. No previous course on crystallography is a prerequisite for graduates in the above fields.
Structure Determination By X Ray Crystallography
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Author : M. Ladd
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Structure Determination By X Ray Crystallography written by M. Ladd and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Crystallography may be described as the science of the structure of materi als, using this word in its widest sense, and its ramifications are apparent over a broad front of current scientific endeavor. It is not surprising, therefore, to find that most universities offer some aspects of crystallography in their undergraduate courses in the physical sciences. It is the principal aim of this book to present an introduction to structure determination by X-ray crystal lography that is appropriate mainly to both final-year undergraduate studies in crystallography, chemistry, and chemical physics, and introductory post graduate work in this area of crystallography. We believe that the book will be of interest in other disciplines, such as physics, metallurgy, biochemistry, and geology, where crystallography has an important part to play. In the space of one book, it is not possible either to cover all aspects of crystallography or to treat all the subject matter completely rigorously. In particular, certain mathematical results are assumed in order that their applications may be discussed. At the end of each chapter, a short bibliog raphy is given, which may be used to extend the scope of the treatment given here. In addition, reference is made in the text to specific sources of information. We have chosen not to discuss experimental methods extensively, as we consider that this aspect of crystallography is best learned through practical experience, but an attempt has been made to simulate the interpretive side of experimental crystallography in both examples and exercises.
Crystal Structure Determination
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Author : William Clegg
language : en
Publisher:
Release Date : 1998
Crystal Structure Determination written by William Clegg and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998 with Language Arts & Disciplines categories.
This concise text describes the basic principles of crystal structure determination by X-ray diffraction and the application of these principles in practice. The technique is presented step-by-step and illustrated with a wide range of case studies, including the use of the most up-to-date equipment. Crystal Structure Determination explains how X-ray crystallography fits in with modern chemistry, why it is important, and what it can do, with the aim of enabling the reader to understand and assess structural results in books and research journals. There is additional coverage of related topics such as neutron diffraction and the application of computer databases. Mathematical treatment is kept at a relatively low level and is complemented by extensive illustrations and worked examples. This clear introduction to the topic will be an essential text for chemistry undergraduates. Other related science undergraduates (biochemists, environmental scientists, etc.) and postgraduate chemists will also find this book useful.
Structure Determination By X Ray Crystallography
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Author : Mark Ladd
language : en
Publisher: Springer Science & Business Media
Release Date : 2014-07-08
Structure Determination By X Ray Crystallography written by Mark Ladd and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-07-08 with Science categories.
The advances in and applications of x-ray and neutron crystallography form the essence of this new edition of this classic textbook, while maintaining the overall plan of the book that has been well received in the academic community since the first edition in 1977. X-ray crystallography is a universal tool for studying molecular structure, and the complementary nature of neutron diffraction crystallography permits the location of atomic species in crystals which are not easily revealed by X-ray techniques alone, such as hydrogen atoms or other light atoms in the presence of heavier atoms. Thus, a chapter discussing the practice of neutron diffraction techniques, with examples, broadens the scope of the text in a highly desirable way. As with previous editions, the book contains problems to illustrate the work of each chapter, and detailed solutions are provided. Mathematical procedures related to the material of the main body of the book are not discussed in detail, but are quotedwhere needed with references to standard mathematical texts. To address the computational aspect of crystallography, the suite of computer programs from the fourth edition has been revised and expanded. The programs enable the reader to participate fully in many of the aspects of x-ray crystallography discussed in the book. In particular, the program system XRAY* is interactive, and enables the reader to follow through, at the monitor screen, the computational techniques involved in single-crystal structure determination, albeit in two dimensions, with the data sets provided. Exercises for students can be found in the book, and solutions are available to instructors.
Carboranes
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Author : Russell Grimes
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Carboranes written by Russell Grimes and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
Carboranes offers a comprehensive treatment of carborane chemistry and covers topics ranging from structures and chemical bonding to the degradation of the icosahedral cage. Carborane polymers as well as small nido- and closo-carboranes, intermediate closo-carboranes, and o-, m-, and p-carboranes are also discussed. This book is comprised of nine chapters and begins with an overview of the chemistry and properties of carboranes. The discussion then turns to the molecular structures of polyhedral carboranes and open-cage carboranes, along with the isomerism and rearrangement of carboranes; nomenclature and numbering systems used for carboranes; and chemical bonding in boranes and carboranes. The following chapters explore the synthesis, reactions, structures, and properties of small nido- and closo-carboranes, intermediate closo-carboranes, and o-, m-, and p-carboranes. The reactions of boranes and alkylboranes with alkynes as well as the degradation of icosahedral carboranes are also described. This monograph will be a useful resource for organic and inorganic chemists.
Structure Determination From Powder Diffraction Data
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Author : William I. F. David
language : en
Publisher: Oxford University Press, USA
Release Date : 2002
Structure Determination From Powder Diffraction Data written by William I. F. David and has been published by Oxford University Press, USA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002 with Business & Economics categories.
Our understanding of the properties of materials, from drugs and proteins to catalysts and ceramics, is almost always based on structural information. This book describes the new developments in the realm of powder diffraction which make it possible for scientists to obtain such information even from polycrystalline materials. Written and edited by experts active in the field, and covering both the fundamental and applied aspects of structure solution from powder diffraction data, this book guides both novices and experienced practitioners alike through the maze of possibilities.
Crystals And Crystallinity In Polymers
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Author : Claudio De Rosa
language : en
Publisher: John Wiley & Sons
Release Date : 2013-08-26
Crystals And Crystallinity In Polymers written by Claudio De Rosa and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-08-26 with Technology & Engineering categories.
Provides the tools needed to master and apply the fundamentals of polymer crystallography Using core concepts in physics, chemistry, polymer science and engineering, this book sheds new light on the complex field of polymer crystallography, enabling readers to evaluate polymer crystallization data and determine the best methods to use for their investigations. The authors set forth a variety of tested and proven methods for analyzing ordered and disordered structures in polymer crystals, including X-ray diffraction, electron diffraction, and microscopy. In addition to the basics, the book explores several advanced and emerging topics in the field such as symmetry breaking, frustration, and the principle of density-driven phase formation. Crystals and Crystallinity in Polymers introduces two new concepts in crystallinity and crystals in synthetic polymers. First, crystallinity in polymeric materials is compatible with the absence of true three-dimensional long-range order. Second, the disorder may be described as a structural feature, using the methods of X-ray scattering and electron diffraction analysis. The book begins by introducing the basic principles and methods for building structural models for the conformation of polymer crystal chains. Next, it covers: Packing of macromolecules in polymer crystals Methods for extracting structural parameters from diffraction data Defects and disorder in polymer crystals Analytical methods for diffuse scattering from disordered polymer structures Crystal habit Influence of crystal defects and structural disorder on the physical and mechanical properties of polymeric materials Crystals and Crystallinity in Polymers examines all the possible types of structural disorder generally present in polymer crystals and describes the influence of each kind of disorder on X-ray and electron diffraction patterns. Its comprehensive, expert coverage makes it possible for readers to learn and apply the fundamentals of polymer crystallography to solve a broad range of problems.
Pharmaceutical Crystals
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Author : Tong Li
language : en
Publisher: John Wiley & Sons
Release Date : 2018-10-16
Pharmaceutical Crystals written by Tong Li and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-10-16 with Science categories.
An important resource that puts the focus on understanding and handling of organic crystals in drug development Since a majority of pharmaceutical solid-state materials are organic crystals, their handling and processing are critical aspects of drug development. Pharmaceutical Crystals: Science and Engineering offers an introduction to and thorough coverage of organic crystals, and explores the essential role they play in drug development and manufacturing. Written contributions from leading researchers and practitioners in the field, this vital resource provides the fundamental knowledge and explains the connection between pharmaceutically relevant properties and the structure of a crystal. Comprehensive in scope, the text covers a range of topics including: crystallization, molecular interactions, polymorphism, analytical methods, processing, and chemical stability. The authors clearly show how to find solutions for pharmaceutical form selection and crystallization processes. Designed to be an accessible guide, this book represents a valuable resource for improving the drug development process of small drug molecules. This important text: Includes the most important aspects of solid-state organic chemistry and its role in drug development Offers solutions for pharmaceutical form selection and crystallization processes Contains a balance between the scientific fundamental and pharmaceutical applications Presents coverage of crystallography, molecular interactions, polymorphism, analytical methods, processing, and chemical stability Written for both practicing pharmaceutical scientists, engineers, and senior undergraduate and graduate students studying pharmaceutical solid-state materials, Pharmaceutical Crystals: Science and Engineering is a reference and textbook for understanding, producing, analyzing, and designing organic crystals which is an imperative skill to master for anyone working in the field.