Aromaticity and Antiaromaticity Concepts and Applications

by Solà; , Miquel; Boldyrev, Alexander I.; Cyrañ; ski, Michal K.; Krygowski, Tadeusz M.; Merino, Gabriel

• ISBN13: 9781119085898
• ISBN10: 1119085896
• Edition: 1st
• Format: Hardcover
• Copyright: 2022-10-10
• Publisher: Wiley

Summary

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.

Author Biography

Miquel Solà, PhD, is Full Professor in the Department of Chemistry and researcher of the Institute of Computational Chemistry and Catalysis at the University of Girona.

Alexander Boldyrev, PhD, is Full Professor in the Department of Chemistry and Biochemistry at Utah State University in the United States

Micha?? K. Cyra??ski, PhD, is Full Professor in the Faculty of Chemistry at the University of Warsaw in Poland.

T. Marek Krygowski, PhD, is Emeritus Professor in the Faculty of Chemistry at the University of Warsaw in Poland.

Gabriel Merino, PhD, is Full Professor at the Centro de Investigación y de Estudios Avanzados in Mérida, Mexico.

Table of Contents

Tentative table of contents:

1) Historical overview

2) Simple electronic and structural models (counting rules)

3) From Organic to Inorganic Aromatic Compounds

4) Stability, Reactivity, and Aromaticity

5) Descriptors of aromaticity: Geometric Criteria

6) Descriptors of aromaticity: Energetic Criteria

7) Descriptors of aromaticity: Magnetic Criteria

8) Descriptors of aromaticity: Electronic Criteria

9) Homoaromaticity

10) Heteroaromaticity

11) Möbius Aromaticity

12) Sigma, pi, delta, and phi Aromaticity

13) Distortivity of pi-electrons

14) Fullerenes and 3D-Aromaticity

15) Excited state aromaticity