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 magnetic shielding function of molecules and Pi-electron delocalization

T Heine, C Corminboeuf, G Seifert - Chemical reviews, 2005 - ACS Publications
Measurement and theoretical prediction of magnetic properties have become an essential
tool for the chemical community. Today, NMR spectroscopy is probably the most powerful of …

Azulene‐Fused Acenes

A Ong, T Tao, Q Jiang, Y Han, Y Ou… - Angewandte …, 2022 - Wiley Online Library
Non‐alternant non‐benzenoid π‐conjugated polycyclic hydrocarbons (PHs) are expected to
exhibit very different electronic properties from the all‐benzenoid PHs. Herein, we report the …

The induced magnetic field in cyclic molecules

G Merino, T Heine, G Seifert - Chemistry–A European Journal, 2004 - Wiley Online Library
The response of a molecule to an applied external magnetic field can be evaluated by a
graphical representation of the induced magnetic field. We have applied this technique to …

s-Indacene Revisited: Modular Synthesis and Modulation of Structures and Molecular Orbitals of Hexaaryl Derivatives

SJ Jhang, J Pandidurai, CP Chu… - Journal of the …, 2023 - ACS Publications
Though s-indacene is an intriguing antiaromatic hydrocarbon of 12 π-electrons, it has been
underrepresented due to the lack of efficient and versatile methods to prepare stable …

Hückel's Rule of Aromaticity Categorizes Aromatic closo Boron Hydride Clusters

J Poater, M Solà, C Viñas… - Chemistry–A European …, 2016 - Wiley Online Library
A direct connection is established between three‐dimensional aromatic closo boron hydride
clusters and planar aromatic [n] annulenes for medium and large boron clusters. In …

Non‐Alternant Non‐Benzenoid A romatic C ompounds: Past, Present, and Future

Y Tobe - The Chemical Record, 2015 - Wiley Online Library
The development of the chemistry of non‐alternant non‐benzenoid hydrocarbons is
reviewed in connection with the I nternational S ymposium on N ovel A romatic C ompounds …

DFT study of “all-metal” aromatic compounds

CA Tsipis - Coordination chemistry reviews, 2005 - Elsevier
An overview of recent quantum chemical studies on all-metal aromatic compounds is
presented. Novel classes of inorganic molecules containing bonds that are characterized by …

Quinodimethanes incorporated in non‑benzenoid aromatic or antiaromatic frameworks

Y Tobe - Physical Organic Chemistry of Quinodimethanes, 2018 - Springer
Three isomers of quinodimethanes (QDMs) adopt different electronic configurations and
geometries, generating their own characteristic physical properties. Incorporation of QDMs …

Analysis of the magnetically induced current density of molecules consisting of annelated aromatic and antiaromatic hydrocarbon rings

D Sundholm, RJF Berger, H Fliegl - Physical Chemistry Chemical …, 2016 - pubs.rsc.org
Magnetically induced current susceptibilities and current pathways have been calculated for
molecules consisting of two pentalene groups annelated with a benzene (1) or naphthalene …