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 …

Magnetic criteria of aromaticity

R Gershoni-Poranne, A Stanger - Chemical Society Reviews, 2015 - pubs.rsc.org
This review describes the current state of magnetic criteria of aromaticity. The introduction
contains the fundamentals of ring currents in aromatic and antiaromatic systems, followed by …

Quantifying aromaticity with electron delocalisation measures

F Feixas, E Matito, J Poater, M Solà - Chemical Society Reviews, 2015 - pubs.rsc.org
Aromaticity cannot be measured directly by any physical or chemical experiment because it
is not a well-defined magnitude. Its quantification is done indirectly from the measure of …

The induced magnetic field

R Islas, T Heine, G Merino - Accounts of Chemical Research, 2012 - ACS Publications
Aromaticity is indispensable for explaining a variety of chemical behaviors, including
reactivity, structural features, relative energetic stabilities, and spectroscopic properties …

Simple and efficient visualization of aromaticity: bond currents calculated from NICS values

E Paenurk, R Gershoni-Poranne - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
Aromaticity is a fundamental concept in chemistry, underpinning the properties and reactivity
of many organic compounds and materials. The ability to easily and accurately discern …

Aromaticity, the Hückel 4 n+ 2 rule and magnetic current

L Zhao, R Grande‐Aztatzi, C Foroutan‐Nejad… - …, 2017 - Wiley Online Library
Quantum chemical calculations using density functional theory and correlated ab initio
methods of the 10 π‐electron systems (N6H6) 2+ and C2N4H6 show that the planar forms …

On the Bonding Nature in the Crystalline Tri‐Thorium Cluster: Core‐Shell Syngenetic σ‐Aromaticity

X Lin, Y Mo - Angewandte Chemie International Edition, 2022 - Wiley Online Library
A unique thorium‐thorium bond was observed in the crystalline tri‐thorium cluster [{Th (η8‐
C8H8)(μ3‐Cl) 2} 3 {K (THF) 2} 2]∞, though the claim of σ‐aromaticity for Th3 bond has been …

Recent advances in computational actinoid chemistry

D Wang, WF van Gunsteren, Z Chai - Chemical Society Reviews, 2012 - pubs.rsc.org
We briefly review advances in computational actinoid (An) chemistry during the past ten
years in regard to two issues: the geometrical and electronic structures, and reactions. The …

Which NICS method is most consistent with ring current analysis? Assessment in simple monocycles

R Báez-Grez, L Ruiz, R Pino-Rios, W Tiznado - RSC advances, 2018 - pubs.rsc.org
The aromaticity of benzene, Al42− cluster, cyclopropane, borazine and planar
cyclooctatetraene (COT) was analyzed according to different strategies based on nucleus …

Minimizing the risk of reporting false aromaticity and antiaromaticity in inorganic heterocycles following magnetic criteria

JJ Torres-Vega, A Vásquez-Espinal… - Inorganic …, 2014 - ACS Publications
Although aromaticity is a concept in chemistry, in the last years, special efforts have been
carried out in order to propose theoretical strategies to quantify it as a property of molecular …