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 …
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
Atomically precise graphene nanoribbons (GNRs) attract great interest because of their
highly tunable electronic, optical, and transport properties. However, on-surface synthesis of …
highly tunable electronic, optical, and transport properties. However, on-surface synthesis of …
Photoremovable Protecting Groups: Across the Light Spectrum to Near-Infrared Absorbing Photocages
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 …
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 …
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 …
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 …
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 …
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 …
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
Atomically precise single-layer graphene fragments show size-and edge-dependent
electronic properties and are promising materials for electronics, photonics and spintronics …
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 …
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 …
revealed that the well-established dihydrophenanthrene (DHP) intermediates can adopt …