Aromaticity

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Aromaticity

Author : Israel Fernandez
Publisher : Elsevier
ISBN 13 : 0128227435
Total Pages : 517 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis Aromaticity by : Israel Fernandez

Download or read book Aromaticity written by Israel Fernandez and published by Elsevier. This book was released on 2021-05-16 with total page 517 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Aromaticity in Heterocyclic Compounds

Author : Tadeusz Marek Krygowski
Publisher : Springer Science & Business Media
ISBN 13 : 3540683291
Total Pages : 355 pages
Book Rating : 4.5/5 (46 download)

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Book Synopsis Aromaticity in Heterocyclic Compounds by : Tadeusz Marek Krygowski

Download or read book Aromaticity in Heterocyclic Compounds written by Tadeusz Marek Krygowski and published by Springer Science & Business Media. This book was released on 2009-01-30 with total page 355 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heterocyclic chemistry is the biggest branch of chemistry covering two-thirds of the chemical literature. Aromaticity in Heterocyclic Compounds covers hot topics of frontier research summarized by reputed scientists in the field.

Aromaticity and Antiaromaticity

Author : Vladimir I. Minkin
Publisher : Wiley-Interscience
ISBN 13 :
Total Pages : 344 pages
Book Rating : 4.:/5 (319 download)

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Book Synopsis Aromaticity and Antiaromaticity by : Vladimir I. Minkin

Download or read book Aromaticity and Antiaromaticity written by Vladimir I. Minkin and published by Wiley-Interscience. This book was released on 1994-04-14 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designed to assist chemists in integrating the results of calculations on molecules and ions into their general body of chemical knowledge. Contains recent contributions from theoretical and computational chemistry to the development of the concept of aromaticity (antiaromaticity) and its expansion into new areas such as organometallic and cluster compounds and three-dimensional structures. Updates the modern status of aromaticity and covers basic principles and experimental applications.

Aromaticity and Antiaromaticity

Author : Miquel Solà
Publisher : John Wiley & Sons
ISBN 13 : 1119085918
Total Pages : 324 pages
Book Rating : 4.1/5 (19 download)

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Book Synopsis Aromaticity and Antiaromaticity by : Miquel Solà

Download or read book Aromaticity and Antiaromaticity written by Miquel Solà and published by John Wiley & Sons. This book was released on 2022-10-14 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: Aromaticity and Antiaromaticity A comprehensive review of the science of aromaticity, as well as its evolution, from benzene to atomic clusters In Aromaticity and Antiaromaticity: Concepts and Applications, a team of accomplished chemists delivers a comprehensive exploration of the evolution and critical aspects of aromaticity. The book examines the new global criteria used to evaluate aromaticity, including the Nucleus Independent Chemical Shift (NICS) index and the electronic indices based on electronic properties. Additional discussions of inorganic aromatic compounds developed in this century, which give rise to new concepts like multifold aromaticity, are included. Three-dimensional aromaticity found in fullerenes and nanotubes, Möbius aromaticity present in some annulenes, and excited state aromaticity are explored as well. This volume explores the geometrical, electronic, magnetic, and thermodynamic characteristics of aromatic and antiaromatic compounds and their reactivity properties. It also provides: A thorough historical overview of aromaticity, as well as simple electronic and structural models Comprehensive explorations of organic and inorganic aromatic compounds, concepts of stability and reactivity, and geometric, energetic, magnetic, and electronic criteria of descriptors of aromaticity Practical discussions of heteroaromaticity, as well as Möbius aromaticity and excited state aromaticity In-depth examinations of sigma, pi, delta, and phi aromaticity Perfect for graduate students, researchers, and academics interested in aromaticity, organometallic chemistry, and computational chemistry, Aromaticity and Antiaromaticity: Concepts and Applications will also earn a place in the libraries of professionals and researchers working in organic, inorganic, and physical chemistry.

Aromaticity and Metal Clusters

Author : Pratim Kumar Chattaraj
Publisher : CRC Press
ISBN 13 : 9781439813355
Total Pages : 466 pages
Book Rating : 4.8/5 (133 download)

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Book Synopsis Aromaticity and Metal Clusters by : Pratim Kumar Chattaraj

Download or read book Aromaticity and Metal Clusters written by Pratim Kumar Chattaraj and published by CRC Press. This book was released on 2010-10-15 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal clusters, an intermediate state between molecules and the extended solid, show peculiar bonding and reactivity patterns. Their significance is critical to many areas, including air pollution, interstellar matter, clay minerals, photography, catalysis, quantum dots, and virus crystals. In Aromaticity and Metal Clusters, dozens of international experts explore not only the basic aspects of aromaticity, but also the structures, properties, reactivity, stability, and other consequences of the aromaticity of a variety of metal clusters. Although the concept of aromaticity has been known for nearly two centuries, there is no way to measure it experimentally and no theoretical formula to calculate it. In order to gain insight into its exact nature, the authors of this volume examine various indirect characteristics such as geometrical, electronic, magnetic, thermodynamic, and reactivity considerations. The book begins by discussing the evolution of aromaticity from benzene to atomic clusters. Next, more specialized chapters focus on areas of significant interest. Topics discussed include: Computational studies on molecules with unusual aromaticity Electronic shells and magnetism in small metal clusters A density functional investigation on the structures, energetics, and properties of sodium clusters through electrostatic guidelines and molecular tailoring The correlation between electron delocalization and ring currents in all metallic aromatic compounds Phenomenological shell model and aromaticity in metal clusters Rationalizing the aromaticity indexes used to describe the aromatic behavior of metal clusters 5f orbital successive aromatic and antiaromatic zones in triangular uranium cluster chemistry This collection of diverse contributions, composed of the work of scientists worldwide, is destined to not only answer puzzling questions about the nature of aromaticity, but also to provoke further inquiry in the minds of researchers.

Aromaticity and Other Conjugation Effects

Author : Rolf Gleiter
Publisher : John Wiley & Sons
ISBN 13 : 352732934X
Total Pages : 486 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Aromaticity and Other Conjugation Effects by : Rolf Gleiter

Download or read book Aromaticity and Other Conjugation Effects written by Rolf Gleiter and published by John Wiley & Sons. This book was released on 2012-09-24 with total page 486 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Aromatic Chemistry

Author : Malcolm Sainsbury
Publisher :
ISBN 13 : 0198556748
Total Pages : 99 pages
Book Rating : 4.1/5 (985 download)

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Book Synopsis Aromatic Chemistry by : Malcolm Sainsbury

Download or read book Aromatic Chemistry written by Malcolm Sainsbury and published by . This book was released on 1992-08-27 with total page 99 pages. Available in PDF, EPUB and Kindle. Book excerpt: All the basic principles of this important topic are clearly presented here in an account which takes as examples many compounds of industrial and biological significance. Consideration is given to the structure, reactions, and properties of benzene and classes of aromatic compounds derived from it, and topics such as thermodynamic versus kinetic control and pericyclic reactions are introduced. The text also covers polycyclic arenes and the small and large ring systems which are embraced by the wider definition of aromaticity.

Advanced Organic Chemistry: Reactions And Mechanisms

Author : Maya Shankar Singh
Publisher : Pearson Education India
ISBN 13 : 9788131711071
Total Pages : 532 pages
Book Rating : 4.7/5 (11 download)

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Book Synopsis Advanced Organic Chemistry: Reactions And Mechanisms by : Maya Shankar Singh

Download or read book Advanced Organic Chemistry: Reactions And Mechanisms written by Maya Shankar Singh and published by Pearson Education India. This book was released on 2004-09 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advanced Organic Chemistry: Reactions and Mechanisms covers the four types of reactions -- substitution, addition, elimination and rearrangement; the three types of reagents -- nucleophiles, electrophiles and radicals; and the two effects -- electroni.

Aromaticity

Author : Peter J. Garratt
Publisher : Wiley-Interscience
ISBN 13 :
Total Pages : 344 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Aromaticity by : Peter J. Garratt

Download or read book Aromaticity written by Peter J. Garratt and published by Wiley-Interscience. This book was released on 1986-04-25 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Examines aromaticity through the historical and conceptual framework of simple molecular orbital theory. This approach is unique in that theoretical considerations are integrated with experimental observations. The criteria for aromatic, antiaromatic and nonaromatic compounds are discussed in with reference to benzene, cyclobutadiene and cyclooctatetraene. Also includes a chapter on the likely classes of aromatic compounds.

Aromaticity

Author : University of Sheffield
Publisher :
ISBN 13 :
Total Pages : 266 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Aromaticity by : University of Sheffield

Download or read book Aromaticity written by University of Sheffield and published by . This book was released on 1967 with total page 266 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Aromatic Character and Aromaticity

Author : G. M. Badger
Publisher : Cambridge University Press
ISBN 13 : 9780521073394
Total Pages : 141 pages
Book Rating : 4.0/5 (733 download)

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Book Synopsis Aromatic Character and Aromaticity by : G. M. Badger

Download or read book Aromatic Character and Aromaticity written by G. M. Badger and published by Cambridge University Press. This book was released on 1969-01-02 with total page 141 pages. Available in PDF, EPUB and Kindle. Book excerpt: Originally published in 1969, this book analyses the special properties of benzene and its derivatives, which give them their distinct aromatic character. The text first discusses the structure of benzene, including the light shed on it by physical methods and wave mechanics, and the structure of polycyclic benzenoid hydrocarbons and heterocyclic aromatic compounds. Aromaticity is defined as a function of the electronic structure of the molecule or ion in question and it is shown that this has important consequences in respect of bond lengths, resonance energies, electronic absorption spectra and induced ring currents. Final chapters discuss how far aromatic character and aromaticity are associated with non-benzenoid hydrocarbons and with more complex systems.

"Aromaticity, Pseudo-aromaticity, Anti-aromaticity"

Author : Ernst David Bergmann
Publisher : Israel Academy of Sciences and Humanities
ISBN 13 :
Total Pages : 408 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis "Aromaticity, Pseudo-aromaticity, Anti-aromaticity" by : Ernst David Bergmann

Download or read book "Aromaticity, Pseudo-aromaticity, Anti-aromaticity" written by Ernst David Bergmann and published by Israel Academy of Sciences and Humanities. This book was released on 1971 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Facts and Theories of Aromaticity

Author : David Lewis (Ph.D.)
Publisher :
ISBN 13 :
Total Pages : 128 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Facts and Theories of Aromaticity by : David Lewis (Ph.D.)

Download or read book Facts and Theories of Aromaticity written by David Lewis (Ph.D.) and published by . This book was released on 1975 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Aromaticity in Bridged Biphenyls Containing Metallic Elements

Author : James Michael Gaidis
Publisher :
ISBN 13 :
Total Pages : 618 pages
Book Rating : 4.:/5 (89 download)

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Book Synopsis Aromaticity in Bridged Biphenyls Containing Metallic Elements by : James Michael Gaidis

Download or read book Aromaticity in Bridged Biphenyls Containing Metallic Elements written by James Michael Gaidis and published by . This book was released on 1967 with total page 618 pages. Available in PDF, EPUB and Kindle. Book excerpt:

AN INVESTIGATION OF THE DEGREE OF AROMATICITY IN CONJUGATED SEVEN-MEMBERED NITROGEN HETEROCYCLES.

Author : ROBERT MCLELLAN FITCH
Publisher :
ISBN 13 :
Total Pages : 210 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis AN INVESTIGATION OF THE DEGREE OF AROMATICITY IN CONJUGATED SEVEN-MEMBERED NITROGEN HETEROCYCLES. by : ROBERT MCLELLAN FITCH

Download or read book AN INVESTIGATION OF THE DEGREE OF AROMATICITY IN CONJUGATED SEVEN-MEMBERED NITROGEN HETEROCYCLES. written by ROBERT MCLELLAN FITCH and published by . This book was released on 1954 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Aromatic Chemistry

Author : John D. Hepworth
Publisher : Royal Society of Chemistry
ISBN 13 : 9780854046621
Total Pages : 180 pages
Book Rating : 4.0/5 (466 download)

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Book Synopsis Aromatic Chemistry by : John D. Hepworth

Download or read book Aromatic Chemistry written by John D. Hepworth and published by Royal Society of Chemistry. This book was released on 2002 with total page 180 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides material required by undergraduate students and is also ideal for industrial chemists seeking to update their knowledge of this important aspect of chemistry.

Nonbenzenoid Aromatics

Author : James P. Snyder
Publisher : Elsevier
ISBN 13 : 1483275655
Total Pages : 449 pages
Book Rating : 4.4/5 (832 download)

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Book Synopsis Nonbenzenoid Aromatics by : James P. Snyder

Download or read book Nonbenzenoid Aromatics written by James P. Snyder and published by Elsevier. This book was released on 2013-10-22 with total page 449 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nonbenzenoid Aromatics, Volume II, provides an overview of the state of knowledge in the field of non-benzenoid aromatic compounds. The theme that threads its way through the six chapters is that of ""aromaticity,"" with each author making an effort to evaluate this concept in light of his own work. It is with this in mind that this treatise was initiated with an historical account tracing the development of the idea up to the discovery of the electron. The book begins with discussions of the estimation of the thermochemical and kinetic stability of a system which has not yet been synthesized and the calculation of electronic spectra. This is followed by separate chapters on the electron spin resonance (ESR) spectra of radical ions of nonbenzenoid aromatics; the theoretical and empirical bases of exaltation; and treatment of cyclic (4n + 2) p-electron systems with six or more p-electrons and bearing one or more formal charges. Subsequent chapters deal with the chemical binding and delocalization in phosphonitrilic derivatives, and cyclobutadiene-metal complexes.