Theoretical and Physical Principles of Organic Reactivity PDF Download

Author: Addy Pross
Publisher: Wiley-Interscience
ISBN:
Category : Science
Languages : en
Pages : 320

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Book Description
This approach to the general problem of organic reactivity combines classical organic chemistry with new theoretical ideas developed by the author. The text contains a non-mathematical description of the curve crossing model, expressed in the language of qualitative valence bond theory.

Author: Pierre Vogel
Publisher: Wiley-VCH
ISBN: 9783527346127
Category : Science
Languages : en
Pages : 0

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Book Description
The know-how about reactivity, reaction mechanisms, thermodynamics and other basics in physical organic chemistry is the key for successful organic reactions. This textbook with its workbook presents comprehensively this knowledge to the student and to the researcher, too.

Author: N. D. Epiotis
Publisher: Springer
ISBN:
Category : Science
Languages : en
Pages : 316

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Book Description
In this work, a general theoretical procedure for constructing qualitative P.E. surfaces will be outlined and will be used to interpret organic reactivity. Thus, it would not be inaccurate to say that this monograph constitutes the beginning of a new conceptual approach to organic chemistry rather than the consolidation of known facts and familiar ideas. The key theoretical notions presented here no doubt will be further refined and elaborated; the P.E. surfaces will become more detailed and accurate as more information about the energy state of molecules become available; and probing experiments will be designed to resolve questions which cannot be answered at the level of theory presented here. The aim of this work is to stimulate interest in thermal and photochemical organic reactivity and to suggest ways in which gas phase and solution mechanistic chemistry, synthesis, spectroscopy and theory can be united. The objective is the mastery of the science and art of drawing the all important P.E. surfaces which reveal how reactants become products.

Author: Pierre Vogel
Publisher: John Wiley & Sons
ISBN: 3527345329
Category : Science
Languages : en
Pages : 1382

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Book Description
Provides the background, tools, and models required to understand organic synthesis and plan chemical reactions more efficiently Knowledge of physical chemistry is essential for achieving successful chemical reactions in organic chemistry. Chemists must be competent in a range of areas to understand organic synthesis. Organic Chemistry provides the methods, models, and tools necessary to fully comprehend organic reactions. Written by two internationally recognized experts in the field, this much-needed textbook fills a gap in current literature on physical organic chemistry. Rigorous yet straightforward chapters first examine chemical equilibria, thermodynamics, reaction rates and mechanisms, and molecular orbital theory, providing readers with a strong foundation in physical organic chemistry. Subsequent chapters demonstrate various reactions involving organic, organometallic, and biochemical reactants and catalysts. Throughout the text, numerous questions and exercises, over 800 in total, help readers strengthen their comprehension of the subject and highlight key points of learning. The companion Organic Chemistry Workbook contains complete references and answers to every question in this text. A much-needed resource for students and working chemists alike, this text: -Presents models that establish if a reaction is possible, estimate how long it will take, and determine its properties -Describes reactions with broad practical value in synthesis and biology, such as C-C-coupling reactions, pericyclic reactions, and catalytic reactions -Enables readers to plan chemical reactions more efficiently -Features clear illustrations, figures, and tables -With a Foreword by Nobel Prize Laureate Robert H. Grubbs Organic Chemistry: Theory, Reactivity, and Mechanisms in Modern Synthesis is an ideal textbook for students and instructors of chemistry, and a valuable work of reference for organic chemists, physical chemists, and chemical engineers.

Author: Stéphane Caron
Publisher: John Wiley & Sons
ISBN: 1118093569
Category : Science
Languages : en
Pages : 870

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Book Description
A hands-on guide to assist in the planning and execution of synthetic reactions in the laboratory Despite the maturity of organic chemistry, it can still be very challenging to identify optimal methods for synthetic transformations that perform as well in real-world manufacturing processes as they do in the laboratory. This detailed and accessible guide attempts to address this vexing issue and deliver proven methodologies practicing synthetic chemists will find valuable for identifying reaction conditions that work reliably over the broadest possible range of substrates. Practical Synthetic Organic Chemistry: Provides a practical guide to strategically planning and executing chemical syntheses for the bench chemist in industry Discusses information that is not common knowledge beyond the boundaries of process chemistry groups, such as the synthetic routes of selected contemporary pharmaceutical drugs and practical solvents, as well as green chemistry concepts Highlights key reactions, including substitutions, additions, eliminations, rearrangements, oxidations, and reductions Addresses basic principles, mechanisms, advantages and disadvantages of the methodology, and techniques for achieving laboratory success Incorporating such an extraordinary wealth of information on organic chemistry and its related fields into one complete volume distinguishes Practical Synthetic Organic Chemistry as an incomparable desktop reference for professionals and an invaluable study aid for students.

Author: Savas Kaya
Publisher: Elsevier
ISBN: 032390257X
Category : Science
Languages : en
Pages : 606

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Book Description
The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields. Combining both original principles and the cutting-edge theories used in chemical reactivity analysis, Chemical Reactivity, Volume 1 present the latest developments in theoretical chemistry and its application for the assessment of chemical processes. Beginning with an exploration of different theories and principles relating to electronic structure and reactivity of confined electronic systems, the book goes on to highlight key information on such topics as Dyson orbitals, target-ion overlaps, reaction fragility, magnetizability principles and the Fuki function. Density Functional Theory is discussed in relation to numerous different principles and approaches, with further information on constrained methods and diabatic models, bonding evolution theory, orbital-based population analysis models and charge transfer models, and Quantum chemistry and QTAIM. Consolidating the knowledge of a global team of experts in the field, Chemical Reactivity, Volume 1: Theories and Principles is a useful resource for both students and researchers interested in gaining greater understanding of the principles and theories underpinning chemical reactivity analysis. Provides readers with the key information needed to gain a good overview of contemporary chemical reactivity studies and a clear understanding of the theory behind state-of-the-art methods in the field Highlights advances in the computational descriptions of reactivity, including reactivity in confined environments, conceptual density functional theory, and multi-reference quantum chemistry Provides comprehensive coverage by consolidating the knowledge of many well-known researchers in the field from around the world

Author: Laszlo Kurti
Publisher: Elsevier
ISBN: 0080575412
Category : Science
Languages : en
Pages : 864

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Book Description
Kurti and Czako have produced an indispensable tool for specialists and non-specialists in organic chemistry. This innovative reference work includes 250 organic reactions and their strategic use in the synthesis of complex natural and unnatural products. Reactions are thoroughly discussed in a convenient, two-page layout--using full color. Its comprehensive coverage, superb organization, quality of presentation, and wealth of references, make this a necessity for every organic chemist. * The first reference work on named reactions to present colored schemes for easier understanding * 250 frequently used named reactions are presented in a convenient two-page layout with numerous examples * An opening list of abbreviations includes both structures and chemical names * Contains more than 10,000 references grouped by seminal papers, reviews, modifications, and theoretical works * Appendices list reactions in order of discovery, group by contemporary usage, and provide additional study tools * Extensive index quickly locates information using words found in text and drawings

Author: Pratim Kumar Chattaraj
Publisher: John Wiley & Sons
ISBN: 1119684021
Category : Science
Languages : en
Pages : 451

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Book Description
An insightful analysis of confined chemical systems for theoretical and experimental scientists Chemical Reactivity in Confined Systems: Theory and Applications presents a theoretical basis for the molecular phenomena observed in confined spaces. The book highlights state-of-the-art theoretical and computational approaches, with a focus on obtaining physically relevant clarification of the subject to enable the reader to build an appreciation of underlying chemical principles. The book includes real-world examples of confined systems that highlight how the reactivity of atoms and molecules change upon encapsulation. Chapters include discussions on recent developments related to several host-guest systems, including cucurbit[n]uril, ExBox+4, clathrate hydrates, octa acid cavitand, metal organic frameworks (MOFs), covalent organic frameworks (COFs), zeolites, fullerenes, and carbon nanotubes. Readers will learn how to carry out new calculations to understand the physicochemical behavior of confined quantum systems. Topics covered include: A thorough introduction to global reactivity descriptors, including electronegativity, hardness, and electrophilicity An exploration of the Fukui function, as well as dual descriptors, higher order derivatives, and reactivity through information theory A practical discussion of spin dependent reactivity and temperature dependent reactivity Concise treatments of population analysis, reaction force, electron localization functions, and the solvent effect on reactivity Perfect for academic researchers and graduate students in theoretical and computational chemistry and confined chemical systems, Chemical Reactivity in Confined Systems: Theory and Applications will also earn a place in the libraries of professionals working in the areas of catalysis, supramolecular chemistry, and porous materials.

Author: Savaş Kaya
Publisher: Elsevier
ISBN: 0323906125
Category : Science
Languages : en
Pages : 608

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Book Description
The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields. Combining both original principles and the cutting-edge theories used in chemical reactivity analysis, Chemical Reactivity, Volume 1 present the latest developments in theoretical chemistry and its application for the assessment of chemical processes.Beginning with an exploration of different theories and principles relating to electronic structure and reactivity of confined electronic systems, the book goes on to highlight key information on such topics as Dyson orbitals, target-ion overlaps, reaction fragility, magnetizability principles and the Fuki function. Density Functional Theory is discussed in relation to numerous different principles and approaches, with further information on constrained methods and diabatic models, bonding evolution theory, orbital-based population analysis models and charge transfer models, and Quantum chemistry and QTAIM.Consolidating the knowledge of a global team of experts in the field, Chemical Reactivity, Volume 1: Theories and Principles is a useful resource for both students and researchers interested in gaining greater understanding of the principles and theories underpinning chemical reactivity analysis. Provides readers with the key information needed to gain a good overview of contemporary chemical reactivity studies and a clear understanding of the theory behind state-of-the-art methods in the field Highlights advances in the computational descriptions of reactivity, including reactivity in confined environments, conceptual density functional theory, and multi-reference quantum chemistry Provides comprehensive coverage by consolidating the knowledge of many well-known researchers in the field from around the world

Author: Sason S. Shaik
Publisher: John Wiley & Sons
ISBN: 0470192585
Category : Science
Languages : en
Pages : 332

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Book Description
This reference on current VB theory and applications presents a practical system that can be applied to a variety of chemical problems in a uniform manner. After explaining basic VB theory, it discusses VB applications to bonding problems, aromaticity and antiaromaticity, the dioxygen molecule, polyradicals, excited states, organic reactions, inorganic/organometallic reactions, photochemical reactions, and catalytic reactions. With a guide for performing VB calculations, exercises and answers, and numerous solved problems, this is the premier reference for practitioners and upper-level students.