Understanding chemistry: from “heuristic (soft) explanations and reasoning by analogy” to “quantum chemistry”

JI Seeman, DJ Tantillo - Chemical science, 2022 - pubs.rsc.org
“Soft theories,” ie,“heuristic models based on reasoning by analogy” largely drove chemistry
understanding for 150 years or more. But soft theories have their limitations and with the …

Rational synthesis of atomically precise graphene nanoribbons directly on metal oxide surfaces

M Kolmer, AK Steiner, I Izydorczyk, W Ko, M Engelund… - Science, 2020 - science.org
Atomically precise graphene nanoribbons (GNRs) attract great interest because of their
highly tunable electronic, optical, and transport properties. However, on-surface synthesis of …

Photoremovable Protecting Groups: Across the Light Spectrum to Near-Infrared Absorbing Photocages

P Štacko, T Solomek - Chimia, 2021 - boris.unibe.ch
We discuss the past decade of progress in the field of photoremovable protecting groups
that allowed the development of photocages activatable by near-IR light and highlight the …

An All-Organic Photochemical Magnetic Switch with Bistable Spin States

K Günther, N Grabicki, B Battistella… - Journal of the …, 2022 - ACS Publications
Controlling the electronic spin state in single molecules through an external stimulus is of
interest in developing devices for information technology, such as data storage and quantum …

Dimethylcethrene: a chiroptical diradicaloid photoswitch

P Ravat, T Šolomek, D Häussinger… - Journal of the …, 2018 - ACS Publications
We describe the synthesis and properties of 13, 14-dimethylcethrene, a prototype of a chiral
diradicaloid photochemical switch that can be transformed reversibly via conrotatory …

5,14-Diaryldiindeno[2,1-f:1′,2′-j]picene: A New Stable [7]Helicene with a Partial Biradical Character

YC Hsieh, CF Wu, YT Chen, CT Fang… - Journal of the …, 2018 - ACS Publications
5, 14-Diaryldiindeno [2, 1-f: 1′, 2′-j] picene (DDP, 1), a thermally and chemically stable
helical arene, can be prepared from 1, 4-bis [2-(arylethynyl) phenyl] benzene in four …

Polyradical character assessment using multireference calculations and comparison with density-functional derived fractional occupation number weighted density …

R Nieman, JR Carvalho, B Jayee, A Hansen… - Physical Chemistry …, 2023 - pubs.rsc.org
The biradicaloid character of different types of polycyclic aromatic hydrocarbons (PAHs)
based on small band gaps is an important descriptor to assess their opto-electronic …

[HTML][HTML] Synthesis of monolayer and persistent bilayer graphene fragments by using a radical-mediated coupling approach

T Jiao, Y Ni, T Xu, X Hou, S Wu, L Ren, Y Gu, X Miao… - Nature …, 2023 - nature.com
Atomically precise single-layer graphene fragments show size-and edge-dependent
electronic properties and are promising materials for electronics, photonics and spintronics …

Violations. How Nature Circumvents the Woodward–Hoffmann Rules and Promotes the Forbidden Conrotatory 4n + 2 Electron Electrocyclization of Prinzbach's …

GA Kukier, A Turlik, XS Xue… - Journal of the American …, 2021 - ACS Publications
Woodward and Hoffmann, in their treatise on orbital symmetry in 1969, stated “Violations.
There are none!” Prinzbach reported in 1978 that the electrocyclization of vinylogous …

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 …