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The Crystalline States Of Organic Compounds

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The Crystalline States of Organic Compounds

The Crystalline States of Organic Compounds Book
Author : Angelo Gavezzotti
Publisher : Elsevier
Release : 2021-09-17
ISBN : 0128237481
Language : En, Es, Fr & De

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Book Description :

The Crystalline States of Organic Compounds, Volume 22 provides a concise, objective survey of how molecular crystals are theoretically described, modeled, and applied, covering both foundational and fast-growing areas ranging from chemical bonding and crystallographic database use, to polymorphism, co-crystallization, crystal structure prediction, and molecular dynamics simulation. Drawing on the extensive experience of its expert author, the book provides authoritative insight into the key knowledge, methods, and future directions in the field for researchers interested in crystal chemistry across academia and industry. Part 1 introduces the key information needed to understand the formation, structure, and properties of crystals in organic compounds, beginning with a guide to electron densities and chemical bonding, intermolecular bonds, and multi-molecular asymmetric units. Chapters go on to discuss organic crystal potentials, crystal polymorphism, and organic crystal nucleation, before Part 2 goes on to explore methods and approaches in more detail. X-ray analysis of crystals, crystal structure prediction from molecular structure, dynamic simulation of aggregate chemical systems, and nonconventional techniques are all discussed in detail. Distills key theoretical information and practical methods in a single resource Describes effective use of such tools as X-ray analysis, dynamic simulations, and databases Provides additional clarity through a high number of carefully selected visuals, multimedia elements and a crystallography tutorial

The Thermal Anisotropy of Organic Compounds in the Crystalline State

The Thermal Anisotropy of Organic Compounds in the Crystalline State Book
Author : R. E. Gilbert
Publisher : Unknown
Release : 1954
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download The Thermal Anisotropy of Organic Compounds in the Crystalline State book written by R. E. Gilbert, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

The Thermal Anistropy of Organic Compounds in the Crystalline State

The Thermal Anistropy of Organic Compounds in the Crystalline State Book
Author : Anonim
Publisher : Unknown
Release : 1954
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download The Thermal Anistropy of Organic Compounds in the Crystalline State book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Organic Crystal Engineering

Organic Crystal Engineering Book
Author : Edward R. T. Tiekink,Jagadese Vittal,Michael Zaworotko
Publisher : John Wiley & Sons
Release : 2010-01-15
ISBN : 0470681802
Language : En, Es, Fr & De

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Book Description :

Organic Crystal Engineering provides reviews of topics in organic crystal engineering that will be of interest to all researchers in molecular solid-state chemistry. Specialist reviews written by internationally recognized researchers, drawn from both academia and industry, cover topics including crystal structure prediction features, polymorphism, reactions in the solid-state, designing new arrays and delineating prominent intermolecular forces for important organic molecules.

Crystalline State Photoreactions

Crystalline State Photoreactions Book
Author : Yuji Ohashi
Publisher : Springer Science & Business Media
Release : 2014-02-18
ISBN : 4431543732
Language : En, Es, Fr & De

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Book Description :

This book focuses on a variety of photochemical reaction processes in the crystalline state. The crystalline state reaction is a new category of solid state reaction, in which a reaction occurs with retention of the single crystal form. The whole reaction processes were observed directly by X-ray and neutron diffractions. In this book, not only the structures of metastable intermediates, such as radicals, carbenes, and nitrenes, but also the unstable species of photochromic compounds and photo-excited structures are shown with colored figures of the molecular structures, with more than 200 figures. The book is an indispensable resource not only for organic, inorganic and physical chemists but also for graduate students, as it furnishes more than 300 references.

Organic Solid State Chemistry

Organic Solid State Chemistry Book
Author : Gautam R. Desiraju
Publisher : Elsevier Science Limited
Release : 1987
ISBN : 9780444428448
Language : En, Es, Fr & De

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Book Description :

With the growing recognition that many organic reactions may be conducted easily in the solid state and that organic solids may have unique optical/electronic properties, there has been much interest - in both academia and industry - in the subject of organic solid state chemistry. This book provides, for the first time, a coherent, unified view of the subject. It describes the packing of molecular crystals and how this packing influences chemical reactions in the solid state. It is concerned with various means of studying the chemistry and physics of molecules in constrained environments. Both experimental and theoretical approaches are discussed. Finally, it tackles the question of prediction of crystal packing, or crystal engineering'. The strength of the book lies in the twin approach adopted, namely that both conceptual and comprehensive chapters are present, in almost equal numbers.

Organic Crystals Germanates Semiconductors

Organic Crystals Germanates Semiconductors Book
Author : Norbert Karl,Ludmila N. Demianets,Anatoly N. Lobachev,Gennadi A. Emelchenko,Horst Maier,Joachim Hesse
Publisher : Springer Science & Business Media
Release : 2012-12-06
ISBN : 3642677649
Language : En, Es, Fr & De

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Book Description :

1.1 Preface Organic chemistry had its origin in chemicals which are synthesized by living cells. These chemicals consist of molecules whose skeletons are built up of carbon atoms. The remaining valences are connected with ligands such as hydrogen, halo gens, -OH,==O, -NH . Some of the skeletal carbon atoms can be replaced by non 2 metals such as oxygen, nitrogen, or sulfur {"heteroatoms"}. It is characteristic for the living world, not to be in a crystalline state. However it is possible to obtain single crystals from many organic compounds both of natural and synthetic origin. For a number of years the physics and chem istry of these crystals have stimulated fundamental research on a rapidly growing scale. The great variety of possible organic structures {as compared to inorganics} opens up a large field of new materials and of novel material properties; for previous literature reviews and data compilations see 1-40) and Chap. 6. The art of producing good and pure organic single crystals has developed hand in-hand with the ever growing requirements of basic research, arising from its interest in fundamental interactions in the solid state. Interactions manifest themselves in a very detailed way by energy transfer.

Handbook of Organic Materials for Electronic and Photonic Devices

Handbook of Organic Materials for Electronic and Photonic Devices Book
Author : Oksana Ostroverkhova
Publisher : Woodhead Publishing
Release : 2018-11-30
ISBN : 0081022859
Language : En, Es, Fr & De

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Book Description :

Handbook of Organic Materials for Electronic and Photonic Devices, Second Edition, provides an overview of the materials, mechanisms, characterization techniques, structure-property relationships, and most promising applications of organic materials. This new release includes new content on emerging organic materials, expanded content on the basic physics behind electronic properties, and new chapters on organic photonics. As advances in organic materials design, fabrication, and processing that enabled charge unprecedented carrier mobilities and power conversion efficiencies have made dramatic advances since the first edition, this latest release presents a necessary understanding of the underlying physics that enabled novel material design and improved organic device design. Provides a comprehensive overview of the materials, mechanisms, characterization techniques, and structure property relationships of organic electronic and photonic materials Reviews key applications, including organic solar cells, light-emitting diodes electrochemical cells, sensors, transistors, bioelectronics, and memory devices New content to reflect latest advances in our understanding of underlying physics to enable material design and device fabrication

Crystal Structure Prediction

Crystal Structure Prediction Book
Author : Aldi Asmadi
Publisher : Unknown
Release : 2010
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

The knowledge of the packing behaviour of small organic compounds in crystal lattices is of great importance for industries dealing with solid state materials. The properties of materials depend on how the molecules arrange themselves in a crystalline environment. Crystal structure prediction provides a theoretical approach through the application of computational strategies to seek possible crystal packing arrangements (or polymorphs) a compound may adopt. Based on the chemical diagrams, this thesis investigates polymorphism of several small organic compounds. Plausible crystal packings of those compounds are generated, and their lattice energies are minimised using molecular mechanics and/or quantum mechanics methods. Most of the work presented here is conducted using two software packages commercially available in this field, Polymorph Predictor of Materials Studio 4.0 and GRACE 1.0. In general, the computational techniques implemented in GRACE are very good at reproducing the geometries of the crystal structures corresponding to the experimental observations of the compounds, in addition to describing their solid state energetics correctly. Complementing the CSP results obtained using GRACE with isostructurality offers a route by which new potential polymorphs of the targeted compounds might be crystallised using the existing experimental data. Based on all calculations in this thesis, four new potential polymorphs for four different compounds, which have not yet been determined experimentally, are predicted to exist and may be obtained under the right crystallisation conditions. One polymorph is expected to crystallise under pressure. The remaining three polymorphs might be obtained by using a seeding technique or the utilisation of suitable tailor made additives.

Crystallization of Organic Compounds

Crystallization of Organic Compounds Book
Author : Hsien-Hsin Tung,Edward L. Paul,Michael Midler,James A. McCauley
Publisher : John Wiley & Sons
Release : 2009-06-17
ISBN : 9780470447789
Language : En, Es, Fr & De

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Book Description :

Filled with industrial examples emphasizing the practical applications of crystallization methodologies Based on the authors' hands-on experiences as process engineers at Merck, Crystallization of Organic Compounds guides readers through the practical aspects of crystallization. It uses plenty of case studies and examples of crystallization processes, ranging from development through manufacturing scale-up. The book not only emphasizes strategies that have been proven successful, it also helps readers avoid common pitfalls that can render standard procedures unsuccessful. The goal of this text is twofold: Build a deeper understanding of the fundamental properties of crystallization as well as the impact of these properties on crystallization process development. Improve readers' problem-solving abilities by using actual industrial examples with real process constraints. Crystallization of Organic Compounds begins with detailed discussions of fundamental thermodynamic properties, nucleation and crystal growth kinetics, process dynamics, and scale-up considerations. Next, it investigates modes of operation, including cooling, evaporation, anti-solvent, and reactive crystallization. The authors conclude with special applications such as ultrasound in crystallization and computational fluid dynamics in crystallization. Most chapters feature multiple examples that guide readers step by step through the crystallization of active pharmaceutical ingredients (APIs). With its focus on industrial applications, this book is recommended for chemical engineers and chemists who are involved with the development, scale-up, or operation of crystallization processes in the pharmaceutical and fine chemical industries.

Design of Organic Solids

Design of Organic Solids Book
Author : Edwin Weber
Publisher : Springer
Release : 2003-09-05
ISBN : 3540691782
Language : En, Es, Fr & De

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Book Description :

Considering the high level of our knowledge concerning covalent bond formation in the organic chemistry of molecules, our understanding of the principles involved in organic solid design is almost in its infancy. While chemists today are able to synthesize organic molecules of very high complexity using sophisticated methods of preparation, they lack general approaches enabling them to reliably predict organic crystalline or solid structures from molecular descriptors - no matter how simple they are. On the other hand, nearly all the organic matter surrounding us is not in the single-molecule state but aggregated and condensed to form liquid or solid molecular assemblages and structural arrays giving rise to the appearances and properties of organic compounds we usually observe. Obviously, the electrical, optical or magnetic properties of solid organic materials that are important requirements for future technologies and high-tech applications, as well as the stability and solubility behavior of a medicament depend on the structure of the molecule and the intramolecular forces, but even more decisively on the intermolecular forces, i. e. the packing structure of the molecules to which a general approach is lacking. This situation concerned ]. Maddox some years ago to such a degree that he described it as "one of the continuing scandals in the physical sciences" [see (1998) Nature 335:201; see also Ball, P. (1996) Nature 381:648]. The problem of predicting organic solid and crystal structures is very dif- cult.

Organic Chemistry in Confining Media

Organic Chemistry in Confining Media Book
Author : Zory Vlad Todres
Publisher : Springer Science & Business Media
Release : 2013-07-17
ISBN : 3319001582
Language : En, Es, Fr & De

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Book Description :

Zory Vlad Todres' monograph offers a fresh insight into an important and developed area of organic chemistry. Calixarene, cyclodextrins, and cucurbiturils as host molecules are well known, but the corresponding new and demonstrative publications deserve new exposition. This book principally widens our consideration of organic reactivity in confining media. Topics discussed include: effects of micellization, porous effects, effects of solvent cages, complexation to organometallic compounds, hydrogen-bond or charge-transfer complexation, sorption effects, effects of solvents, and stereochemical changes upon confinement. Organic Chemistry in Confining Media is useful for experienced organic chemists working in academia or industry, as well as chemists working in fields contiguous to organic chemistry.

Control and Prediction of Solid State of Pharmaceuticals

Control and Prediction of Solid State of Pharmaceuticals Book
Author : Rajni Miglani Bhardwaj
Publisher : Springer
Release : 2016-02-02
ISBN : 3319275550
Language : En, Es, Fr & De

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Book Description :

This thesis investigates a range of experimental and computational approaches for the discovery of solid forms. Furthermore, we gain, as readers, a better understanding of the key factors underpinning solid-structure and diversity. A major part of this thesis highlights experimental work carried out on two structurally very similar compounds. Another important section involves looking at the influence of small changes in structure and substituents on solid-structure and diversity using computational tools including crystal structure prediction, PIXEL calculations, Xpac, Mercury and statistical modeling tools. In addition, the author presents a fast validated method for solid-state form screening using Raman microscopy on multi-well plates to explore the experimental crystallization space. This thesis illustrates an inexpensive, practical and accurate way to predict the crystallizability of organic compounds based on molecular structure alone, and additionally highlights the molecular factors that inhibit or promote crystallization.

Liquid Crystals I

Liquid Crystals I Book
Author : D.M.P. Mingos
Publisher : Springer
Release : 2003-09-04
ISBN : 3540683054
Language : En, Es, Fr & De

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Book Description :

The liquid crystalline state may be identified as a distinct and unique state of matter which is characterised by properties which resemble those of both solids and liquids. It was first recognised in the middle of the last century through the study of nerve myelin and derivatives of cholesterol. The research in the area really gathered momentum, however, when as a result of the pioneering work of Gray in the early 1970's organic compounds exhibiting liquid crystalline properties were shown to be suitable to form the basis of display devices in the electronic products. The study of liquid crystals is truly multidisciplinary and has attached the attention of physicists, biologists, chemists, mathematicians and electronics engineers. It is therefore impossible to cover all these aspects fully in two small volumes and therefore it was decided in view of the overall title of the series to concentrate on the structural and bonding aspects of the subject. The Chapters presented in these two volumes have been organised to cover the following fundamental aspects of the subiect. The calculation of the structures of liquid crystals, an account of their dynamical properties and a discussion of computer simulations of liquid crystalline phases formed by Gay Berne mesogens. The relationships between molecular conformation and packing are analysed in some detail. The crystal structures of liquid crystal mesogens and the importance of their X ray scattering properties for characterisational purposes are discussed.

Advances in Organic Crystal Chemistry

Advances in Organic Crystal Chemistry Book
Author : Rui Tamura,Mikiji Miyata
Publisher : Springer
Release : 2015-08-06
ISBN : 4431555552
Language : En, Es, Fr & De

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Book Description :

For the last decade, the topics of organic crystal chemistry have become diversified, and each topic has been substantially advanced in concert with the rapid development of various analytical and measurement techniques for solid-state organic materials. The aim of this book is to systematically summarize and record the recent notable advances in various topics of organic crystal chemistry involving liquid crystals and organic–inorganic hybrid materials that have been achieved mainly in the last 5 years or so. The authors are invited members of the Division of Organic Crystals, The Chemical Society of Japan (CSJ), and prominent invited experts from abroad. This edited volume is planned to be published periodically, at least every 5 years, with contributions by prominent authors in Japan and from abroad.

Organic and Inorganic Low Dimensional Crystalline Materials

Organic and Inorganic Low Dimensional Crystalline Materials Book
Author : Pierre Delhaes,Marc Drillon
Publisher : Springer Science & Business Media
Release : 2013-12-01
ISBN : 1489920919
Language : En, Es, Fr & De

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Book Description :

The research of unitary concepts in solid state and molecular chemistry is of current interest for both chemist and physicist communities. It is clear that due to their relative simplicity, low dimensional materials have attracted most of the attention. Thus, many non-trivial problems were solved in chain systems, giving some insight into the behavior of real systems which would otherwise be untractable. The NATO Advanced Research Workshop on "Organic and Inorganic Low-Dimensional Crystalline Materials" was organized to review the most striking electronic properties exhibited by organic and inorganic sytems whose space dimensionality ranges from zero (Od) to one (1d), and to discuss related scientific and technological potentials. The initial objectives of this Workshop were, respectively: i) To research unitary concepts in solid state physics, in particular for one dimensional compounds, ii) To reinforce, through a close coupling between theory and experiment, the interplay between organic and inorganic chemistry, on the one hand, and solid state physics on the other, iii) To get a salient understanding of new low-dimensional materials showing "exotic" physical properties, in conjunction with structural features.

Characterization of Organic Compounds

Characterization of Organic Compounds Book
Author : F. Wild
Publisher : CUP Archive
Release : 2003-03
ISBN : 9780521091619
Language : En, Es, Fr & De

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Book Description :

Download Characterization of Organic Compounds book written by F. Wild, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Characterisation of Organic Compounds

Characterisation of Organic Compounds Book
Author : Anonim
Publisher : CUP Archive
Release : 2021-12-06
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Characterisation of Organic Compounds book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Modern Physical Organic Chemistry

Modern Physical Organic Chemistry Book
Author : Eric V. Anslyn,Dennis A. Dougherty
Publisher : University Science Books
Release : 2006
ISBN : 9781891389313
Language : En, Es, Fr & De

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Book Description :

Making explicit the connections between physical organic chemistry and critical fields such as organometallic chemistry, materials chemistry, bioorganic chemistry and biochemistry, this book escorts the reader into an area that has been thoroughly updated in recent times.