Aromaticity: Quo Vadis

G Merino, M Solà, 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 …

Aromaticity of metallabenzenes and related compounds

I Fernández, G Frenking, G Merino - Chemical Society Reviews, 2015‏ - pubs.rsc.org
The concept of aromaticity was initially introduced in chemistry to account for the stability,
reactivity, molecular structures, and other properties of many unsaturated organic …

Dynamics of ternary-hybrid nanofluid subject to magnetic flux density and heat source or sink on a convectively heated surface

IL Animasaun, SJ Yook, T Muhammad, A Mathew - Surfaces and Interfaces, 2022‏ - Elsevier
The size and intensity of the system of delocalized electrons are reflected in the form of the
induced magnetic field. Even though this also affects nearby molecules, nothing is known on …

Exploring the Aromaticity Differences of Isoelectronic Species of Cyclo[18]carbon (C18), B6C6N6, and B9N9: The Role of Carbon Atoms as Connecting Bridges

Y Wu, Z Liu, T Lu, M Orozco-Ic, J Xu, X Yan… - Inorganic …, 2023‏ - ACS Publications
The cyclo [18] carbon (C18) has piqued widespread interest in recent years for its
geometrical aesthetic and unique electronic structure. Inspired by it, theoretical …

An all-metal fullerene: [K@Au12Sb20]5−

YH Xu, WJ Tian, A Muñoz-Castro, G Frenking, ZM Sun - Science, 2023‏ - science.org
The C60 fullerene molecule has attracted tremendous interest for its distinctive nearly
spherical structure. By contrast, all-metal counterparts have been elusive: Fullerene-like …

Planar pentacoordinate s-block metals

M Wang, AJ Kalita, M Orozco-Ic, G Yan, C Chen… - Chemical …, 2023‏ - pubs.rsc.org
The presence of a delocalized π-bond is often considered an essential criterion for
achieving planar hypercoordination. Herein, we show that σ-delocalization could be …

An electronic aromaticity index for large rings

E Matito - Physical Chemistry Chemical Physics, 2016‏ - pubs.rsc.org
We introduce a new electronic aromaticity index, AV1245, consisting of an average of the 4-
center multicenter indices (MCI) along the ring that keeps a positional relationship of 1, 2, 4 …

Core-electron contributions to the magnetic response of molecules with heavy elements and their significance in aromaticity assessments

M Orozco-Ic, L Soriano-Agueda, D Sundholm… - Chemical …, 2024‏ - pubs.rsc.org
This study delves into the magnetic response of core electrons and their influence on the
global magnetic response of planar and three-dimensional systems containing heavy …

[K2(Bi@Pd12@Bi20)]4–: An Endohedral Inorganic Fullerene with Spherical Aromaticity

CC Shu, DW Szczepanik, A Muñoz-Castro… - Journal of the …, 2024‏ - ACS Publications
Inorganic fullerene clusters have attracted widespread attention due to their highly
symmetrical geometric structures and intrinsic electronic properties. However, cage-like …

Recent developments and future prospects of all-metal aromatic compounds

JM Mercero, AI Boldyrev, G Merino… - Chemical Society …, 2015‏ - pubs.rsc.org
The usefulness of aromaticity/antiaromaticity concepts to foresee structural stability patterns
and salient features of the electronic structure of small inorganic and all-metal rings has …