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 …

Aromaticity from the viewpoint of molecular geometry: application to planar systems

TM Krygowski, H Szatylowicz, OA Stasyuk… - Chemical …, 2014 - ACS Publications
Following the history of organic chemistry, studies on relations between chemical (and later
physicochemical) properties and the structure of chemical species in question are the heart …

Too persistent to give up: Aromaticity in boron clusters survives radical structural changes

J Poater, C Viñas, I Bennour, S Escayola… - Journal of the …, 2020 - ACS Publications
o-C2B10H12 isomerizes to m-C2B10H12 upon heating at 400° C. Deboronation in o-
C2B10H12 is a relatively easy process, whereas it is more difficult in m-C2B10H12. These …

Nucleus-independent chemical shifts (NICS) as an aromaticity criterion

Z Chen, CS Wannere, C Corminboeuf, R Puchta… - Chemical …, 2005 - ACS Publications
Few concepts are as frequently used as aromaticity in the current chemical literature. 1 This
may be quantified by ca. 300 000 papers dealing with the aromatic properties of chemical …

Which NICS aromaticity index for planar π rings is best?

H Fallah-Bagher-Shaidaei, CS Wannere… - Organic …, 2006 - ACS Publications
Five increasingly sophisticated aromaticity indexes, based on nucleus-independent
chemical shifts (NICS), were evaluated against a uniform set of aromatic stabilization …

Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological …

J Poater, M Duran, M Sola, B Silvi - Chemical reviews, 2005 - ACS Publications
Benzene is the emblematic example of an aromatic molecule, and the problem of its
structure has given rise to a chemical serial story running over several decades. The …

Interrelation between H-bond and Pi-electron delocalization

L Sobczyk, SJ Grabowski, TM Krygowski - Chemical reviews, 2005 - ACS Publications
Among many various kinds of molecular interactions, the H-bond has a special position. The
term is ubiquitous in the world that surrounds us, but also it is often applied in different ways …

Energetic aspects of cyclic pi-electron delocalization: evaluation of the methods of estimating aromatic stabilization energies

MK Cyrański - Chemical reviews, 2005 - ACS Publications
In quantum mechanics the state of an electron is defined within the frame of probabilistic
theory. 1 The electrons of an isolated atom are confined to the space of this atom, which in …

The aromatic fluctuation index (FLU): A new aromaticity index based on electron delocalization

E Matito, M Duran, M Sola - The Journal of chemical physics, 2005 - pubs.aip.org
In this work, the aromatic fluctuation index FLU that describes the fluctuation of electronic
charge between adjacent atoms in a given ring is introduced as a new aromaticity measure …

[n]Cyclodibenzopentalenes as Antiaromatic Curved Nanocarbons with High Strain and Strong Fullerene Binding

JS Wössner, D Wassy, A Weber… - Journal of the …, 2021 - ACS Publications
Conjugated nanohoops provide a platform to study structure–property relationships; they are
attractive hosts for supramolecular chemistry as well as promising candidates as new …