Aromaticity: Quo Vadis

G Merino, M Sola, I Fernández, C Foroutan-Nejad… - Chemical …, 2023 - pubs.rsc.org
Aromaticity is one of the most deeply rooted concepts in chemistry. But why, if two-thirds of
existing compounds can be classified as aromatic, is there no consensus on what …

% V Bur index and steric maps: from predictive catalysis to machine learning

S Escayola, N Bahri-Laleh, A Poater - Chemical Society Reviews, 2024 - pubs.rsc.org
Steric indices are parameters used in chemistry to describe the spatial arrangement of
atoms or groups of atoms in molecules. They are important in determining the reactivity …

Single─Not Double─3D-Aromaticity in an Oxidized Closo Icosahedral Dodecaiodo-Dodecaborate Cluster

J Poater, S Escayola, A Poater, F Teixidor… - Journal of the …, 2023 - ACS Publications
3D-aromatic molecules with (distorted) tetrahedral, octahedral, or spherical structures are
much less common than typical 2D-aromatic species or even 2D-aromatic-in-3D systems …

A quantum‐mechanical map for bonding and properties in solids

JY Raty, M Schumacher, P Golub… - Advanced …, 2019 - Wiley Online Library
A 2D map is created for solid‐state materials based on a quantum‐mechanical description
of electron sharing and electron transfer. This map intuitively identifies the fundamental …

From macrocycles to quantum rings: Does aromaticity have a size limit?

M Jirásek, HL Anderson, MD Peeks - Accounts of Chemical …, 2021 - ACS Publications
Conspectus The ring currents of aromatic and antiaromatic molecules are remarkable
emergent phenomena. A ring current is a quantum-mechanical feature of the whole system …

Photochemistry Driven by Excited‐State Aromaticity Gain or Antiaromaticity Relief

J Yan, T Slanina, J Bergman… - Chemistry–A European …, 2023 - Wiley Online Library
Gain of aromaticity or relief of antiaromaticity along a reaction path are important factors to
consider in mechanism studies. Analysis of such changes along potential energy surfaces …

Aromaticity and antiaromaticity: concepts and applications

M Solà, AI Boldyrev, MK Cyrañski, TM Krygowski… - 2022 - books.google.com
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 …

Magnetic Antiaromaticity─ Paratropicity─ Does Not Necessarily Imply Instability

C Foroutan-Nejad - The Journal of Organic Chemistry, 2023 - ACS Publications
Magnetically induced ring currents are a conventional tool for the characterization of
aromaticity. Dia-and paratropic currents are thought to be associated with stabilization …

Orbital-weighted dual descriptor for the study of local reactivity of systems with (quasi-) degenerate states

R Pino-Rios, D Inostroza… - The Journal of …, 2019 - ACS Publications
An alternative response function, based on the dual descriptor in terms of Koopmans'
approximation, is hereby proposed for the description of chemical reactivity in systems with …

Why aromaticity is a suspicious concept? Why?

M Solà - Frontiers in Chemistry, 2017 - frontiersin.org
From time to time I have the opportunity to give lectures on topics related to aromaticity.
Quite often in these occasions I get comments from the audience complaining about the fact …