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 …

NICS–past and present

A Stanger - European Journal of Organic Chemistry, 2020 - Wiley Online Library
The Nucleus Independent Chemical Shift (NICS) method was invented in 1996 by the late
Paul v. R. Schleyer as a computational tool for the assessment of aromaticity. In the …

[图书][B] Chemical reactivity theory: a density functional view

PK Chattaraj - 2009 - taylorfrancis.com
In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to
chemistry by a handful of visionaries. Now chemical DFT is a diverse and rapidly growing …

On the performance of some aromaticity indices: a critical assessment using a test set

F Feixas, E Matito, J Poater… - Journal of computational …, 2008 - Wiley Online Library
Aromaticity is a central chemical concept widely used in modern chemistry for the
interpretation of molecular structure, stability, reactivity, and magnetic properties of many …

How Aromatic Are Molecular Nanorings? The Case of a Six‐Porphyrin Nanoring

I Casademont‐Reig, R Guerrero‐Avilés… - Angewandte …, 2021 - Wiley Online Library
Large conjugated rings with persistent currents are novel promising structures in molecular‐
scale electronics. A six‐porphyrin nanoring structure that allegedly sustained an aromatic …

Highly Strained Arene-Fused 1, 2-Diborete Biradicaloid

A Gärtner, L Meier, M Arrowsmith… - Journal of the …, 2022 - ACS Publications
The stepwise reduction of a doubly cyclic alkyl (amino) carbene (CAAC)-stabilized 2, 3-bis
(dibromoboryl) naphthalene enables the isolation of the corresponding mono-and bis (boryl) …

Energetics of Baird aromaticity supported by inversion of photoexcited chiral [4n]annulene derivatives

M Ueda, K Jorner, YM Sung, T Mori, Q Xiao… - Nature …, 2017 - nature.com
For the concept of aromaticity, energetic quantification is crucial. However, this has been
elusive for excited-state (Baird) aromaticity. Here we report our serendipitous discovery of …

All-metal aromaticity: revisiting the ring current model among transition metal clusters

Z Badri, S Pathak, H Fliegl… - Journal of chemical …, 2013 - ACS Publications
We present new insight into the nature of aromaticity in metal clusters. We give
computational arguments in favor of using the ring-current model over local indices, such as …

Unraveling factors leading to efficient norbornadiene–quadricyclane molecular solar-thermal energy storage systems

K Jorner, A Dreos, R Emanuelsson… - Journal of Materials …, 2017 - pubs.rsc.org
Developing norbornadiene–quadricyclane (NBD–QC) systems for molecular solar-thermal
(MOST) energy storage is often a process of trial and error. By studying a series of …

Metalloaromaticity

F Feixas, E Matito, J Poater… - Wiley Interdisciplinary …, 2013 - Wiley Online Library
In the last decade, the study of aromaticity has experienced enormous progress. The new
discoveries, which include species such as the metallabenzenes, heterometallabenzenes …