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Aromaticity and Antiaromaticity: Basics and Applications

Aromaticity and Antiaromaticity: Basics and Applications

Miquel Solà, Alexander I. Boldyrev, Michal K. Cyrañski, T. Marek Krygowski, Gabriel Merino

ISBN: 978-1-119-08589-8

Oct 2019

352 pages

Select type: Hardcover

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During the last two decades, the concept of aromaticity has evolved and broadened to incorporate not only new types of aromaticity, such as σ- and δ-aromaticity, spherical aromaticity, and excited state aromaticity, but also new aromatic species such as all-metal aromatic species, heteroderivatives of metallabenzenes, and metallabenzyenes.

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. Aromaticity and Antiaromaticity: Basics and Applications will examine the geometrical, electronic, magnetic, thermodynamic characteristics and reactivity properties, to provide insight into its exact nature.

Opening with a detailed look at the evolution of aromaticity; from benzene to atomic clusters, Aromaticity and Antiaromaticity: Basics and Applications will go on to look at the new global criteria used to evaluate aromaticity, including the Nucleus Independent Chemical Shift (NICS) index and the electronic indices based on electronic properties. Inorganic aromatic compounds developed in this century, which induce new concepts like multifold aromaticity are also discussed, as well as the three-dimensional aromaticity found in fullerenes and nanotubes, and the Möbius aromaticity present in some annulenes.

Written by leading experts in the field, this valuable resource will provide students and researchers with a comprehensive review of all important aspects of aromaticity.

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