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Introduction to Theoretical Stereochemistry

Introduction to Theoretical Stereochemistry
Author: Vi͡acheslav Ivanovich Sokolov
Publisher: Taylor & Francis
Total Pages: 346
Release: 1991
Genre: Science
ISBN: 9782881246531

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First published in 1991. Routledge is an imprint of Taylor & Francis, an informa company.


Introduction to Stereochemistry

Introduction to Stereochemistry
Author: Kurt Mislow
Publisher: Courier Corporation
Total Pages: 210
Release: 2012-06-11
Genre: Science
ISBN: 0486151158

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Molecular shape, form, and symmetry play a central role in organic chemistry, and this text presents a brief introduction to the conceptual basis of stereochemistry. Its focus lies in the fundamentals of structural stereochemistry, rather than the dynamic aspects that are more relevant to reaction mechanisms. The three-part treatment deals with structure and symmetry, stereoisomerism, and the separation and configuration of stereoisomers. The first section reviews molecular architecture, relating empirical bonding geometries to the hybridization of the central carbon atom. Students receive a nonrigorous treatment of symmetry elements and point groups, with particular focus on the presence or absence of reflection symmetry. The second section classifies stereoisomers according to symmetry properties and to the nature of their barriers; it also discusses the dependence of optical activity on structure and concludes with an examination of topological isomerism. The third and final section explores the conceptual basis of asymmetric syntheses and kinetic resolutions. Each of the major sections features a series of exercises that reinforce and extend the preceding material, and answers are provided. Preface to the Dover edition. Answers to Exercises. Bibliography. Index.


Chemical Graph Theory

Chemical Graph Theory
Author: D Bonchev
Publisher: Routledge
Total Pages: 310
Release: 2018-05-11
Genre: Science
ISBN: 1351461591

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This volume presents the fundamentals of graph theory and then goes on to discuss specific chemical applications. Chapter 1 provides a historical setting for the current upsurge of interest in chemical graph theory. Chapter 2 gives a full background of the basic ideas and mathematical formalism of graph theory and includes such chemically relevant notions as connectedness, graph matrix representations, metric properties, symmetry and operations on graphs. This is followed by a discussion on chemical nomenclature and the trends in its rationalization by using graph theory, which has important implications for the storage and retrieval of chemical information. This volume also contains a detailed discussion of the relevance of graph-theoretical polynomials; it describes methodologies for the enumeration of isomers, incorporating the classical Polya method, as well as more recent approaches.


Stereochemistry and Organic Reactions

Stereochemistry and Organic Reactions
Author: Dipak Kumar Mandal
Publisher: Academic Press
Total Pages: 640
Release: 2021-04-21
Genre: Science
ISBN: 0128240938

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Stereochemistry and Organic Reactions: Conformation, Configuration, Stereoelectronic Effects and Asymmetric Synthesis provides coverage on the stereochemistry of reactions of all mechanistic types, ranging from ionic, pericyclic and transition metal-catalyzed to radical and photochemical. Chapters cover acyclic molecules, cyclic molecules, the stereochemistry of organic reactions, the perturbation molecular orbital theory for the origin of stereoelectronic effects, and an introduction to the principles of stereoselectivity and hierarchical levels of asymmetric synthesis. Each chapter includes problems that reinforce main themes, making it valuable to students, teachers and researchers working in organic, biological and medicinal chemistry, as well as biologists, pharmacologists, polymer chemists and chemists. Presents a holistic and unified approach to stereochemical understanding and predictions, covering reactions of all mechanistic classes Includes two background chapters on perturbation theory and stereoselective principles, along with asymmetric designs Features novel rules and mnemonics to delineate product stereochemistry Includes up-to-date coverage with over 1300 selective references


Mathematical Stereochemistry

Mathematical Stereochemistry
Author: Shinsaku Fujita
Publisher: Walter de Gruyter
Total Pages: 0
Release: 2015
Genre: Science
ISBN: 9783110366709

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Chirality and stereogenicity are closely related concepts and their differentiation and description is still a challenge in chemoinformatics. A new stereoisogram approach, developed by the author, is introduced in this book, providing a theoretical framework for mathematical aspects of modern stereochemistry. The discussion covers point-groups and permutation symmetry and exemplifies the concepts using organic molecules and inorganic complexes.


Stereochemistry of Coordination Compounds

Stereochemistry of Coordination Compounds
Author: Alexander von Zelewsky
Publisher: John Wiley & Sons
Total Pages: 272
Release: 1996-06-03
Genre: Science
ISBN: 9780471955993

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This well-illustrated and well-referenced book provides a systematic introduction to the modern aspects of the topographical stereochemistry of coordination compounds, which are made up of metal ions surrounded by other non-metal atoms, ions and molecules.


Theory of Orientation and Stereoselection

Theory of Orientation and Stereoselection
Author: K. Fukui
Publisher: Springer Science & Business Media
Total Pages: 141
Release: 2013-04-17
Genre: Science
ISBN: 3642619177

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Many organic chemists will agree with me that the old "electronic theory" has for a long time been inadequate for the interpretation of various new findings in chemistry, particularly for those of reactivity. Considering the outstanding progress which has been made during the past 20 years in the interpretation of these facts, aided by the molecular orbital theory, the time has finally come for a new book showing what is within and what is beyond the reach of quantum-chemical methods. It was therefore highly suitable that Dr. F. L. Boschke of the Springer Verlag suggested to me to make a contribution to a volume in the series "Topics in Current Chemistry" in February 1969. The article was published as Vol. 15, No 1 in June 1970. This new book is an expanded version of the article written in 1970. In this present volume several of the most up-to-date findings which have been gained in organic chemistry since then have been added. It is highly probable that a certain "theoretical" design in the experimenta lists' mind may have been the reason for these developments, whether they themselves are aware of it or not. Theory produces new experimental ideas and conversely, a host of experimental data add another vista to new theories. Due to the mutual beneficial effect of theory and experiment this book will always retain its value, although the quantum-chemical approach to the theory of reactivity is, of course, still in the develop mental stage.


Organic Stereochemistry

Organic Stereochemistry
Author: Hua-Jie Zhu
Publisher: John Wiley & Sons
Total Pages: 336
Release: 2015-08-10
Genre: Science
ISBN: 3527338225

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Adopting a novel approach to the topic by combining theoretical knowledge and practical results, this book presents the most popular and useful computational and experimental methods applied for studying the stereochemistry of chemical reactions and compounds. The text is clearly divided into three sections on fundamentals, spectroscopic and computational techniques, and applications in organic synthesis. The first part provides a brief introduction to the field of chirality and stereochemistry, while the second part covers the different methodologies, such as optical rotation, electronic circular dichroism, vibrational circular dicroism, and Raman spectroscopy. The third section then goes on to describe selective examples in organic synthesis, classified by reaction type, i.e. enantioselective, chemoselective and stereoselective reactions. A final chapter on total synthesis of natural products rounds off the book. A valuable reference for researchers in academia and industry working in the field of organic synthesis, computational chemistry, spectroscopy or medicinal chemistry.


Perspectives in Theoretical Stereochemistry

Perspectives in Theoretical Stereochemistry
Author: I. Ugi
Publisher: Springer Science & Business Media
Total Pages: 270
Release: 2012-12-06
Genre: Science
ISBN: 3642932665

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Stereochemistry is the part of chemistry that relates observable prop erties of chemical compounds to the structure of their molecules, i. e. the relative spatial arrangement of their constituent atoms. In classical stereochemistry, the spatial arrangements relevant for interpreting and predicting a given chemical property are customarily described by geometric features/ symmetries in some suitably chosen rigid model of the molecule The solution of stereochemical problems involving single molecular species is the danain of the geometry based approaches, such as the methods of classical stereochemistry, molecular mechanics and quantum chemistry. The molecules of a pure chemical compound form generally an ensemble of molecular individuals that differ in geometry and energy. Thus it is generally impossible to represent a chemical compund adequately by the geo metry of a rigid molecular model. In modern stereochemistry it is often necessary to analyze molecular relation within ensembles and families of stereoisomers and permutation isomers, including molecules whose geometric features are changing with time. Accordingly, there is definitely a need for new types of ideas, concepts, theories and techniques that are usable beyond the scope of customary methodology. This is why the present text was written.