Persistent and stable organic radicals: Design, synthesis, and applications

ZX Chen, Y Li, F Huang - Chem, 2021 - cell.com
Open-shell radicals are usually thermodynamically and kinetically unstable due to their
incompletely satisfied valency. However, the rapid development of radical chemistry in the …

Global aromaticity in macrocyclic polyradicaloids: Huckel's rule or baird's rule?

C Liu, Y Ni, X Lu, G Li, J Wu - Accounts of chemical research, 2019 - ACS Publications
Conspectus Aromaticity is one of the most important concepts in organic chemistry to
understand the electronic properties of cyclic π-conjugated molecules. Over a century …

Infinitene: a helically twisted figure-eight [12] circulene topoisomer

M Krzeszewski, H Ito, K Itami - Journal of the American Chemical …, 2021 - ACS Publications
New forms of molecular nanocarbon particularly looped polyarenes adopting various
topologies contribute to the fundamental science and practical applications. Here we report …

ACQ‐to‐AIE transformation: Tuning molecular packing by regioisomerization for two‐photon NIR bioimaging

Y Li, S Liu, H Ni, H Zhang, H Zhang… - Angewandte …, 2020 - Wiley Online Library
The traditional design strategies for highly bright solid‐state luminescent materials rely on
weakening the intermolecular π–π interactions, which may limit diversity when developing …

From open-shell singlet diradicaloids to polyradicaloids

TY Gopalakrishna, W Zeng, X Lu, J Wu - Chemical Communications, 2018 - pubs.rsc.org
In this Feature Article, we highlight our recent efforts toward stable open-shell singlet
diradicaloids and polyradicaloids. A brief review on the historical works in the area is …

Near-infrared luminescent open-shell π-conjugated systems with a bright lowest-energy zwitterionic singlet excited state

CP Yu, R Chowdhury, Y Fu, P Ghosh, W Zeng… - Science …, 2024 - science.org
Open-shell systems with extensive π-conjugation have fascinating properties due to their
narrow bandgaps and spin interactions. In this work, we report neutral open-shell di-and …

Spin-flip methods in quantum chemistry

D Casanova, AI Krylov - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
This Perspective discusses salient features of the spin-flip approach to strong correlation
and describes different methods that sprung from this idea. The spin-flip treatment exploits …

Global aromaticity at the nanoscale

M Rickhaus, M Jirasek, L Tejerina, H Gotfredsen… - Nature …, 2020 - nature.com
Aromaticity can be defined by the ability of a molecule to sustain a ring current when placed
in a magnetic field. Hückel's rule states that molecular rings with [4 n+ 2] π-electrons are …

3D global aromaticity in a fully conjugated diradicaloid cage at different oxidation states

Y Ni, TY Gopalakrishna, H Phan, T Kim, TS Herng… - Nature …, 2020 - nature.com
Aromaticity is a vital concept that governs the electronic properties of π-conjugated organic
molecules and has long been restricted to 2D systems. The aromaticity in 3D π-conjugated …

Electro-optical π-radicals: design advances, applications and future perspectives

P Murto, H Bronstein - Journal of Materials Chemistry C, 2022 - pubs.rsc.org
The unique open-shell electronic structure of neutral π-radicals has inspired research on
novel molecular materials for over a century. In recent years, rapid development in carbon …