Molecular carbons: How far can we go?

MW Wang, W Fan, X Li, Y Liu, Z Li, W Jiang, J Wu… - Acs Nano, 2023 - ACS Publications
The creation and development of carbon nanomaterials promoted material science
significantly. Bottom-up synthesis has emerged as an efficient strategy to synthesize …

Circumpentacene with Open‐Shell Singlet Diradical Character

Q Jiang, H Wei, X Hou, C Chi - Angewandte Chemie, 2023 - Wiley Online Library
Circumacenes (CAs) are a distinctive type of benzenoid polycyclic aromatic hydrocarbons
where an acene unit is completely enclosed by a layer of outer fused benzene rings. Despite …

Expanded Azahelicenes with Large Dissymmetry Factors

GF Huo, WT Xu, Y Han, J Zhu, X Hou… - Angewandte Chemie …, 2024 - Wiley Online Library
Expanded azahelicenes, as heteroanalogues of helically chiral helicenes, hold significant
potential for chiroptical materials. Nevertheless, their investigation and research have …

[4] Rhombene: Solution‐Phase Synthesis and Application in Distributed Feedback Lasers With Emission Beyond 830 nm

T Shen, P Pasqués‐Gramage… - Angewandte Chemie …, 2024 - Wiley Online Library
Graphene‐like molecules with multiple zigzag edges are emerging as promising gain
materials for organic lasers. Their emission wavelengths can vary widely, ranging from …

A Crowning Achievement: The First Solution‐Phase Synthesis of Circumcoronenes

R Gershoni‐Poranne, A Tsybizova - Angewandte Chemie, 2023 - Wiley Online Library
Circumcoronene is a highly symmetric polybenzenoid hydrocarbon that has fascinated
organic chemists and materials scientists for decades. However, until recently, it had only …

S-Shaped Helical Singlet Diradicaloid and Its Transformation to Circumchrysene via a Two-Stage Cyclization

J Hu, Q Xiang, X Tian, L Ye, Y Wang, Y Ni… - Journal of the …, 2024 - ACS Publications
Polycyclic hydrocarbons with diradical and polyradical characters usually display unique
reactivities in ring-cyclization reactions. However, such reactions are rarely used to construct …

Coronene: a model for ultrafast dynamics in graphene nanoflakes and PAHs

AM Santa Daría, L González-Sánchez… - Physical Chemistry …, 2024 - pubs.rsc.org
Assuming a delta pulse excitation, quantum wavepackets are propagated on the excited
state manifold in the energy range from 3.4–5.0 eV for coronene and 2.4–3.5 eV for …

Stack bonding in polyaromatic hydrocarbons

CA Bayse - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Parallel displacement of π-stacked component molecules enhances the efficiency of organic
semiconductors by maximizing interpenetration of the π-densities. Dimers of symmetric …

Cove-Edged Boron-Doped peri-Acenes via Alkyne-Enabled Cyclization

Z Fan, Y Liu, T Zhang, Y Wang, C Dou - CCS Chemistry, 2024 - chinesechemsoc.org
Heteroatom-doping of polycyclic aromatic hydrocarbons can alter their electronic structure
and thereby produce intriguing physical properties. However, it is very challenging to dope …

Density functional theory study of doped coronene and circumcoronene as anode materials in lithium-ion batteries

R Geetha Sadasivan Nair, AK Narayanan Nair… - Scientific Reports, 2024 - nature.com
Density functional theory calculations are carried out to investigate the adsorption properties
of Li+ and Li on twenty-four adsorbents obtained by replacement of C atoms of coronene …