Aromaticity and Other Conjugation Effects

Aromaticity and Other Conjugation Effects
Title Aromaticity and Other Conjugation Effects PDF eBook
Author Rolf Gleiter
Publisher John Wiley & Sons
Pages 486
Release 2012-09-24
Genre Science
ISBN 352732934X

Download Aromaticity and Other Conjugation Effects Book in PDF, Epub and Kindle

The authors provide an excellent overview of conjugation effects in organic chemistry within and between Pi systems. Besides various aspects of aromaticity one finds detailed discussions of homo-, spiroand hyperconjugation as well as effects of through-space and throughbond interactions. These effects are presented on the basis of experimental results and are analyzed by the use of qualitative arguments of perturbation theory and from a comparison with results from high level ab initio calculations. This book is a must-have for bachelor students from the second year on, master and PhD students of chemistry. Also students in science such as physics, biology and medicine will benefit from the concepts described in the book. Furthermore, chemists in research and development will be grateful to find here an overview of conjugation effects allowing to understand the structures, the dynamics and the reactivity of molecules.

Aromaticity

Aromaticity
Title Aromaticity PDF eBook
Author Israel Fernandez
Publisher Elsevier
Pages 517
Release 2021-05-16
Genre Science
ISBN 0128227435

Download Aromaticity Book in PDF, Epub and Kindle

Evaluating the aromaticity of a molecular system and the influence of this concept on its properties is a crucial step in the development of novel aromatic systems. Modern computational methods can provide researchers with a high level of insight into such aromaticity, but identifying the most appropriate method for assessing a specific system can prove difficult. Aromaticity: Modern Computational Methods and Applications reviews the latest state-of-the-art computational methods in this field and discusses their applicability for evaluating the aromaticity of a system. In addition to covering aromaticity for typical organic molecules, this volume also explores systems possessing transition metals in their structures, macrocycles and even transition structures. The influence of the aromaticity on the properties of these species (including the structure, magnetic properties and reactivity) is highlighted, along with potential applications in fields including materials science and medicinal chemistry. Finally, the controversial and fuzzy nature of aromaticity as a concept is discussed, providing the basis for an updated and more comprehensive definition of this concept. Drawing on the knowledge of an international team of experts, Aromaticity: Modern Computational Methods and Applications is a unique guide for anyone researching, studying or applying principles of aromaticity in their work, from computational and organic chemists to pharmaceutical and materials scientists. - Reviews a range of computational methods to assess the aromatic nature of different compounds, helping readers select the most useful tool for the system they are studying - Presents a complete guide to the key concepts and fundamental principles of aromaticity - Provides guidance on identifying which variables should be modified to tune the properties of an aromatic system for different potential applications

Applied Theoretical Organic Chemistry

Applied Theoretical Organic Chemistry
Title Applied Theoretical Organic Chemistry PDF eBook
Author Dean J Tantillo
Publisher World Scientific
Pages 622
Release 2018-03-08
Genre Science
ISBN 1786344106

Download Applied Theoretical Organic Chemistry Book in PDF, Epub and Kindle

This book provides state-of-the-art information on how studies in applied theoretical organic chemistry are conducted. It highlights the many approaches and tools available to those interested in using computational chemistry to predict and rationalize structures and reactivity of organic molecules. Chapters not only describe theoretical techniques in detail, but also describe recent applications and offer practical advice.Authored by many of the world leaders in the field of applied theoretical chemistry, this book is perfect for both practitioners of computational chemistry and synthetic and mechanistic organic chemists curious about applying computational techniques to their research.Related Link(s)

Modern Nucleophilic Aromatic Substitution

Modern Nucleophilic Aromatic Substitution
Title Modern Nucleophilic Aromatic Substitution PDF eBook
Author Francois Terrier
Publisher John Wiley & Sons
Pages 488
Release 2013-05-20
Genre Science
ISBN 3527656162

Download Modern Nucleophilic Aromatic Substitution Book in PDF, Epub and Kindle

This book provides a comprehensive overview of nucleophilic aromatic substitutions, focusing on the mechanistic and synthetic features that govern these reactions. The first chapter presents a detailed mechanistic analysis of the factors determining the feasibility of SNAr substitutions, providing decisive information to predict regioselectivity of many reactions and to define the conditions for concerted SNAr processes. Reflecting the key role played by these species as intermediates in most SNAr reactions, chapter 2 then discusses the chemistry of anionic sigma-complexes. Chapter 3 describes the concept of superelectrophilicity in SNAr substitutions, as it has recently emerged from the reactivity of strongly electron-deficient aromatic and heteroaromatic structures. The numerous synthetic applications are considered in depth in the chapters 4 and 5 that follow on intermolecular and intramolecular nucleophilic aromatic substitutions. Then, chapter 6 focuses on substitutions proceeding formally through displacement of a hydride ion, a hot topic in the field. The final chapter brings together concise yet comprehensive discussions surrounding SNAr photosubstitutions, radical substitutions, and ANRORC substitutions. Authored by a highly respected chemist who has contributed greatly to the field over the past two decades, this is a valuable information source for all organic chemists working in academia or the pharmaceutical and agrochemical industries.

Stereoelectronic Effects

Stereoelectronic Effects
Title Stereoelectronic Effects PDF eBook
Author Igor V. Alabugin
Publisher John Wiley & Sons
Pages 404
Release 2016-10-17
Genre Science
ISBN 1118906349

Download Stereoelectronic Effects Book in PDF, Epub and Kindle

Stereoelectronic Effects illustrates the utility of stereoelectronic concepts using structure and reactivity of organic molecules An advanced textbook that provides an up-to-date overview of the field, starting from the fundamental principles Presents a large selection of modern examples of stereoelectronic effects in organic reactivity Shows practical applications of stereoelectronic effects in asymmetric catalysis, photochemical processes, bioorganic chemistry and biochemistry, inorganic and organometallic reactivity, supramolecular chemistry and materials science

Organic Nanochemistry

Organic Nanochemistry
Title Organic Nanochemistry PDF eBook
Author Yuming Zhao
Publisher John Wiley & Sons
Pages 292
Release 2024-01-18
Genre Science
ISBN 111887045X

Download Organic Nanochemistry Book in PDF, Epub and Kindle

ORGANIC NANOCHEMISTRY How-to guide for entry-level practitioners to quickly learn the cutting-edge research concepts and methodologies of modern organic nanochemistry Organic Nanochemistry describes the fundamentals of organic nanochemistry research, encompassing modern synthetic reactions, supramolecular strategies, nanostructure and property characterization techniques, and state-of-the-art data analysis and processing methods, along with synthetic chemistry as applied to organic nanomaterials and molecular devices. Accompanying each of these principles are case studies (from basic design to detailed experimental implementation) to help the reader fully comprehend the concepts and methods involved. Various theories suitable for nanoscale simulations, including quantum mechanics, semi-empirical quantum mechanics, and molecular dynamics theories, are discussed at an introductory level. Computational examples are provided, allowing interested readers to grasp essential modelling techniques for better understanding of organic nanochemistry. The content is paired with online supplementary material that includes instructional materials and guides to using common scientific software for computational modelling and simulations. Written by a highly qualified professor, Organic Nanochemistry includes discussion on: Key concepts and theories of organic chemistry, which are essential to understand the fundamental properties of organic molecular and supramolecular systems Useful synthetic methodologies for the synthesis and functionalization of organic nanomaterials, and the chemistry and application of exotic carbon nanomaterials Supramolecular aspects in organic nanochemistry, especially the well-developed disciplines of host-guest chemistry and organic self-assembly chemistry Construction and testing of molecular devices and molecular machines and state-of-the-art computational modelling methods for properties of nanoscale organic systems Guiding the reader on a journey from familiar chemical concepts and principles to cutting-edge research of nano-science and technology, Organic Nanochemistry serves as an excellent textbook learning resource for advanced and graduate students, as well as a self-study guide or how-to reference for practicing chemists.

Stereochemistry and Organic Reactions

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

Download Stereochemistry and Organic Reactions Book in PDF, Epub and Kindle

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