Double Spin with a Twist: Synthesis and Characterization of a Neutral Mixed-Valence Organic Stable Diradical

VV Sentyurin, OA Levitskiy, TS Yankova… - Journal of the …, 2024 - ACS Publications
A convenient design strategy opens access to neutral open-shell mixed-valence species via
the redox transformation of charged stable precursors, ie, the spiro-fused borate anions. We …

Accelerated diradical character assessment in large datasets of polybenzenoid hydrocarbons using xTB fractional occupation

A Wahab, R Gershoni-Poranne - Physical Chemistry Chemical Physics, 2025 - pubs.rsc.org
Polybenzenoid hydrocarbons (PBHs) have garnered significant attention in the field of
organic electronics due to their unique electronic properties. To facilitate the design and …

Unprecedented C–F bond cleavage in perfluoronaphthalene during cobaltocene reduction

G Kundu, D Pramanik, SR Dash, R Kumar… - Dalton …, 2024 - pubs.rsc.org
The C–F bond activation of perfluoronaphthalene by 5-SIDipp led to the formation of
dicationic salts with two fluorides (3· 2HF2) or heptafluorodiborate (3· 2B2F7) as counter …