bay/ortho-Octa-substituted Perylene: A Versatile Building Block toward Novel Polycyclic (Hetero)Aromatic Hydrocarbons

K Yang, Z Li, Y Huang, Z Zeng - Accounts of Chemical Research, 2024 - ACS Publications
Conspectus Polycyclic (hetero) aromatic hydrocarbons (PAHs) have emerged as a focal
point in current interdisciplinary research, spanning the realms of chemistry, physics, and …

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 …

Bis (9-Boraphenanthrene) and Its Stable Biradical

SK Sarkar, KK Hollister, A Molino, AD Obi… - Journal of the …, 2023 - ACS Publications
Selective and site-specific boron-doping of polycyclic aromatic hydrocarbon frameworks
often give rise to redox and/or photophysical properties that are not easily accessible with …

[HTML][HTML] Design of magnetic organic molecules and organic magnets: experiment, theory and computation with application and recent advances

SN Datta, AK Pal, A Panda - Chemical Physics Impact, 2023 - Elsevier
We begin by reviewing the early developments in the synthesis of high-spin organic
molecules and the simultaneous rationalization of the ground states of high spin. A number …

Stable Diradical on the Dimethyldihydropyrene Scaffold

P Jana, S Koppayithodi, S Mahato… - The Journal of …, 2023 - ACS Publications
The diradical character in a molecular architecture can be customized primarily in two ways:
first, by employing a quinoidal pro-aromatic system with net energy gained by aromatization …

Tethering Three Radical Cascades for Controlled Termination of Radical Alkyne peri-Annulations: Making Phenalenyl Ketones without Oxidants

C Hu, L Kuhn, FD Makurvet, ES Knorr… - Journal of the …, 2024 - ACS Publications
Although Bu3Sn-mediated radical alkyne peri-annulations allow access to phenalenyl ring
systems, the oxidative termination of these cascades provides only a limited selection of the …

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 …

Dihydrophenanthrene Open-Shell Singlet Diradicals and Their Roles in the Mallory Photocyclization Reaction

EB Hulley, EL Clennan - Journal of the American Chemical …, 2024 - ACS Publications
A computational study (ωB97X-D/6-31G (d)) of the Mallory photocyclization reaction has
revealed that the well-established dihydrophenanthrene (DHP) intermediates can adopt …

Generation and Characterization of a Tetraradical Embedded in a Curved Cyclic Paraphenylene Unit

Y Miyazawa, Z Wang, S Hatano… - … A European Journal, 2023 - Wiley Online Library
Unique spin–spin (magnetic) interactions, ring‐size effects on ground‐state spin multiplicity,
and in‐plane aromaticity has been found in localized 1, 3‐diradicals embedded in curved …

On Entangled Singlet Pure Diradicals

G Trinquier, G David, E Veillon… - The Journal of Physical …, 2024 - ACS Publications
This work addresses a class of conjugated hydrocarbons that are expected to be singlet
diradicals according to the topological Hückel Hamiltonian while possibly satisfying full on …