Skip to main content

Aromaticity

In Order to Read Online or Download Aromaticity Full eBooks in PDF, EPUB, Tuebl and Mobi you need to create a Free account. Get any books you like and read everywhere you want. Fast Download Speed ~ Commercial & Ad Free. We cannot guarantee that every book is in the library!

Aromaticity

Aromaticity Book
Author : Israel Fernandez
Publisher : Elsevier
Release : 2021-05-15
ISBN : 9780128227237
Language : En, Es, Fr & De

GET BOOK

Book Description :

Aromaticity: Modern Computational Methods and Applications reviews 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. Drawing on the knowledge of an international team of experts, this unique guide is ideal 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

Aromaticity Book
Author : Peter J. Garratt
Publisher : Wiley-Interscience
Release : 1986-04-25
ISBN : 0987650XXX
Language : En, Es, Fr & De

GET BOOK

Book Description :

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 and Antiaromaticity

Aromaticity and Antiaromaticity Book
Author : Miquel Solà,Alexander I. Boldyrev,Michal K. Cyrañski,T. Marek Krygowski,Gabriel Merino
Publisher : Wiley
Release : 2021-02-08
ISBN : 9781119085898
Language : En, Es, Fr & De

GET BOOK

Book Description :

A comprehensive review of the essential characteristics and properties of aromaticity, written by leaders of the field Aromaticity and Antiaromaticity: Concepts and Applications offers an authoritative guide that examines the geometrical, electronic, magnetic, thermodynamic characteristics and reactivity properties of aromaticity and provides insight into its nature. Whilst the concept of aromaticity has been known for nearly two centuries, there was no way to accurately measure it nor a theoretical formula to calculate it. The book offers a detailed review of the evolution of aromaticity, from benzene to atomic clusters. The authors, noted experts in the field, explore the new global criteria used to evaluate aromaticity, including the Nucleus Independent Chemical Shift (NICS) index and the electronic indices based on electronic properties. They discuss the inorganic aromatic compounds developed in this century, which induce new concepts like multifold aromaticity. This volume also includes information on the three-dimensional aromaticity found in fullerenes and nanotubes, excited state aromaticity, and the Möbius aromaticity present in some annulenes. This important resource: Contains a comprehensive review of all important aspects of aromaticity, including characteristics, evaluation indexes, reactivity, structural models and three-dimensional aromaticity Offers a review of the evolution of aromaticity, from benzene to atomic clusters Reviews the most recent developments in the field Presents information from leading experts who have made valuable advances in the theoretical understanding of aromaticity Written for graduate students, researchers and academics specializing in aromaticity, organometallic chemistry and computational chemistry, Aromaticity and Antiaromaticity: Concepts and Applications is the most authoritative guide to the characteristics and latest advances in the fields.

Aromaticity in Heterocyclic Compounds

Aromaticity in Heterocyclic Compounds Book
Author : Tadeusz Marek Krygowski,Michal Ksawery Cyranski
Publisher : Springer Science & Business Media
Release : 2009-01-30
ISBN : 3540683291
Language : En, Es, Fr & De

GET BOOK

Book Description :

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.

Facts and Theories of Aromaticity

Facts and Theories of Aromaticity Book
Author : David Lewis (Ph.D.),David Peters
Publisher : Unknown
Release : 1975
ISBN : 0987650XXX
Language : En, Es, Fr & De

GET BOOK

Book Description :

Download Facts and Theories of Aromaticity book written by David Lewis (Ph.D.),David Peters, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Aromaticity and Metal Clusters

Aromaticity and Metal Clusters Book
Author : Pratim Kumar Chattaraj
Publisher : CRC Press
Release : 2010-10-15
ISBN : 9781439813355
Language : En, Es, Fr & De

GET BOOK

Book Description :

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.

Aromatic character and aromaticity

Aromatic character and aromaticity Book
Author : Anonim
Publisher : CUP Archive
Release : 2021-06-15
ISBN : 0987650XXX
Language : En, Es, Fr & De

GET BOOK

Book Description :

Download Aromatic character and aromaticity book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Aromaticity

Aromaticity Book
Author : Israel Fernandez
Publisher : Elsevier
Release : 2021-05-21
ISBN : 0128227435
Language : En, Es, Fr & De

GET BOOK

Book Description :

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 Bridged Biphenyls Containing Metallic Elements

Aromaticity in Bridged Biphenyls Containing Metallic Elements Book
Author : James Michael Gaidis
Publisher : Unknown
Release : 1967
ISBN : 0987650XXX
Language : En, Es, Fr & De

GET BOOK

Book Description :

Download Aromaticity in Bridged Biphenyls Containing Metallic Elements book written by James Michael Gaidis, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Aromaticity Pseudo aromaticity Anti aromaticity

 Aromaticity  Pseudo aromaticity  Anti aromaticity  Book
Author : Ernst David Bergmann,Bernard Pullman
Publisher : Israel Academy of Sciences and Humanities
Release : 1971
ISBN : 0987650XXX
Language : En, Es, Fr & De

GET BOOK

Book Description :

Download Aromaticity Pseudo aromaticity Anti aromaticity book written by Ernst David Bergmann,Bernard Pullman, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Aromatic Character and Aromaticity

Aromatic Character and Aromaticity Book
Author : G. M. Badger
Publisher : Cambridge University Press
Release : 1969-01-02
ISBN : 9780521095433
Language : En, Es, Fr & De

GET BOOK

Book Description :

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

Aromaticity Book
Author : Marcos Mandado,María J. González Moa,Ricardo A. Mosquera
Publisher : Nova Science Pub Incorporated
Release : 2008
ISBN : 9781604564082
Language : En, Es, Fr & De

GET BOOK

Book Description :

Aromaticity is among the most frequently used concepts in the chemical literature. Nevertheless, it has to be stressed that aromaticity is not an observable that could be directly obtained from molecular wave function. So, it remains as a controversial concept and its physical origin is still being debated. This has lead to multiple ways for assessing the aromatic or anti-aromatic character of molecules. Thus, several indices of aromaticity have been proposed throughout the literature. It is well-known that aromaticity is strongly related to the electron delocalisation of the electrons along all the centres of the ring. The introduction of the n-order density matrix, and development of n-centre delocalisation indices (n-DIs), has provided a quantitative tool to measure electron delocalisation within a certain ring. Therefore, n-DIs can be regarded as a promising way to determine the actual role played by electron delocalisation in aromaticity. n-DIs are found to be in line with most of the qualitative trends predicted by the harmonic oscillator model of aromaticity indices, HOMAs, aromaticity indices derived from the Chemical Graph Theory, properties of the ring critical points, and circuit resonance energies. It has to be noticed that the direct comparison of n-DIs computed for rings with a different number of centers does not provide a picture of relative aromatic stabilisation. In fact, aromatic stabilisation does not only depend on the extension of the electron delocalisation over the n centres, but also on the number of centres. n-DIs dependence on the number of centres and electrons in a ring prevents to use their direct comparison as a measure of aromatic stabilisation unless an appropriate scaling is applied. Effective Scaled Electron Delocalisation indices, ESED, have been developed for comparing the total aromaticity of polyaromatic hydrocarbons. n-DIs exhibit very different behaviour for aromatic and antiaromatic hydrocarbons. Thus, an aromatic compound is one whose multicenter electron delocalisation is larger than that of the corresponding linear structure, whereas an antiaromatic compound is one where the multi-centre electron delocalisation is smaller than that of the linear molecule. Those compounds that display very small differences between linear and cyclic structures may be called non-aromatic. n-DIs are also found as a promising tool to study the aromaticity of transition states in concerted processes. This book also reports on its application to the study of the aromaticity in all metal compounds.

Aromaticity and Other Conjugation Effects

Aromaticity and Other Conjugation Effects Book
Author : Rolf Gleiter,G. Haberhauer
Publisher : John Wiley & Sons
Release : 2012-09-24
ISBN : 9783527329342
Language : En, Es, Fr & De

GET BOOK

Book Description :

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 Book
Author : University of Sheffield,Chemical Society (Great Britain)
Publisher : Unknown
Release : 1967
ISBN : 0987650XXX
Language : En, Es, Fr & De

GET BOOK

Book Description :

Download Aromaticity book written by University of Sheffield,Chemical Society (Great Britain), available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Handbook of Heterocyclic Chemistry

Handbook of Heterocyclic Chemistry Book
Author : Alan R. Katritzky,Aleksandr Fedorovich Pozharskiĭ,Pozharskii,Christopher A. Ramsden,John A. Joule,Viktor V. Zhdankin
Publisher : Academic Press
Release : 2000-10-16
ISBN : 0987650XXX
Language : En, Es, Fr & De

GET BOOK

Book Description :

Heterocyclic chemistry is the largest of the classical divisions of organic chemistry. Heterocyclic compounds are widely distributed in Nature, playing a vital role in the metabolism of living cells. Their practical applications range from extensive clinical use to fields as diverse as agriculture, photography, biocide formulation and polymer science. The range of known compounds is enormous, encompassing the whole spectrum of physical, chemical and biological properties. This book provides a balanced, concise and informative account of heterocyclic chemistry that will be suitable for graduate or advanced undergraduate students and a convenient reference book for research workers, for both specialists int he field and those whose expertise lies in other areas but who nevertheless need information on heterocylic chemistry. The Handbook of Heterocyclic Chemistry is illustrated throughout with thousands of clearly drawn chemical structures. The highly systematic coverage given to the subject makes this the most authoritative one-volume account of modern heterocyclic chemistry available. Provides a balanced, concise and informative account of heterocyclic chemistry Written by leading scholars and industry experts Illustrated throughout with thousands of clearly drawn chemical structures The most authoritative one-volume account of modern heterocyclic chemistry available

Aromaticity and Antiaromaticity

Aromaticity and Antiaromaticity Book
Author : Vladimir I. Minkin,Mikhail N. Glukhovtsev,Boris Ya. Simkin,Boris I︠A︡kovlevich Simkin
Publisher : Wiley-Interscience
Release : 1994-04-14
ISBN : 0987650XXX
Language : En, Es, Fr & De

GET BOOK

Book Description :

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.

Benzene and Aromaticity

Benzene and Aromaticity Book
Author : Muhammad Arifur Rahman
Publisher : LAP Lambert Academic Publishing
Release : 2012-08
ISBN : 9783659207303
Language : En, Es, Fr & De

GET BOOK

Book Description :

The understanding of benzene and hence of all aromatic compounds, proved to be so important for both applied chemistry and Pharmacy. Many important chemical compounds are derived from benzene by replacing one or more of its hydrogen atoms with another functional group. In heterocycles, carbon atoms in the benzene ring are replaced with other elements. In this book the chemical nature of benzene and aromatic reaction describes smoothly.

Polish Journal of Chemistry

Polish Journal of Chemistry Book
Author : Anonim
Publisher : Unknown
Release : 2009
ISBN : 0987650XXX
Language : En, Es, Fr & De

GET BOOK

Book Description :

Download Polish Journal of Chemistry book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Journal of Organic Chemistry of the USSR

Journal of Organic Chemistry of the USSR  Book
Author : Anonim
Publisher : Unknown
Release : 1991
ISBN : 0987650XXX
Language : En, Es, Fr & De

GET BOOK

Book Description :

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

Aromaticity

Aromaticity Book
Author : University of Sheffield,Chemical Society (Great Britain)
Publisher : Unknown
Release : 1967
ISBN : 0987650XXX
Language : En, Es, Fr & De

GET BOOK

Book Description :

Download Aromaticity book written by University of Sheffield,Chemical Society (Great Britain), available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.