Aromaticity

Aromaticity
  • Author : Israel Fernandez
  • Publsiher : Elsevier
  • Release : 16 May 2021
  • ISBN : 0128227435
  • Pages : 516 pages
  • Rating : 4/5 from 21 ratings
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Summary:
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

Aromaticity
  • Author : Israel Fernandez
  • Publisher : Elsevier
  • Release : 16 May 2021
GET THIS BOOKAromaticity

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

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Aromaticity and Antiaromaticity

Aromaticity and Antiaromaticity
  • Author : Miquel Solà,Alexander I. Boldyrev,Michal K. Cyrañski,T. Marek Krygowski,Gabriel Merino
  • Publisher : Wiley
  • Release : 08 February 2021
GET THIS BOOKAromaticity and Antiaromaticity

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

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Aromaticity

Aromaticity
  • Author : Peter J. Garratt
  • Publisher : Wiley-Interscience
  • Release : 25 April 1986
GET THIS BOOKAromaticity

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.

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Aromaticity and Metal Clusters

Aromaticity and Metal Clusters
  • Author : Pratim Kumar Chattaraj
  • Publisher : CRC Press
  • Release : 15 October 2010
GET THIS BOOKAromaticity and Metal Clusters

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

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Aromaticity in Heterocyclic Compounds

Aromaticity in Heterocyclic Compounds
  • Author : Tadeusz Marek Krygowski,Michal Ksawery Cyranski
  • Publisher : Springer Science & Business Media
  • Release : 30 January 2009
GET THIS BOOKAromaticity in Heterocyclic Compounds

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.

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Aromatic Character and Aromaticity

Aromatic Character and Aromaticity
  • Author : G. M. Badger
  • Publisher : Cambridge University Press
  • Release : 02 January 1969
GET THIS BOOKAromatic Character and Aromaticity

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

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Aromaticity and Antiaromaticity

Aromaticity and Antiaromaticity
  • Author : Vladimir I. Minkin,Mikhail N. Glukhovtsev,Boris Ya. Simkin,Boris I︠A︡kovlevich Simkin
  • Publisher : Wiley-Interscience
  • Release : 14 April 1994
GET THIS BOOKAromaticity and Antiaromaticity

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.

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Aromaticity and Other Conjugation Effects

Aromaticity and Other Conjugation Effects
  • Author : Rolf Gleiter,G. Haberhauer
  • Publisher : John Wiley & Sons
  • Release : 24 September 2012
GET THIS BOOKAromaticity and Other Conjugation Effects

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

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Aromaticity

Aromaticity
  • Author : Marcos Mandado,María J. González Moa,Ricardo A. Mosquera
  • Publisher : Nova Science Pub Incorporated
  • Release : 29 November 2021
GET THIS BOOKAromaticity

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

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Advanced Organic Chemistry

Advanced Organic Chemistry
  • Author : Francis A. Carey,Richard J. Sundberg
  • Publisher : Springer Science & Business Media
  • Release : 11 November 2013
GET THIS BOOKAdvanced Organic Chemistry

The purpose of this edition, like that of the earlier ones, is to provide the basis for a deeper understanding of the structures of organic compounds and the mechanisms of organic reactions. The level is aimed at advanced undergraduates and beginning graduate students. Our goals are to solidify the student's understanding of basic concepts provided by an introduction to organic chemistry and to present more information and detail, including quantitative information, than can be presented in the first course in

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