Photochemistry Driven by Excited‐State Aromaticity Gain or Antiaromaticity Relief

J Yan, T Slanina, J Bergman… - Chemistry–A European …, 2023 - Wiley Online Library
Gain of aromaticity or relief of antiaromaticity along a reaction path are important factors to
consider in mechanism studies. Analysis of such changes along potential energy surfaces …

Aromaticity and Magnetic Behavior in Benzenoids: Unraveling Ring Current Combinations

L Leyva‐Parra, R Pino‐Rios, D Inostroza… - … A European Journal, 2024 - Wiley Online Library
Nowadays, an active research topic is the connection between Clar's rule, aromaticity, and
magnetic properties of polycyclic benzenoid hydrocarbons. In the present work, we employ a …

Magnetic characterization of the infinitene molecule

G Monaco, R Zanasi, FF Summa - The Journal of Physical …, 2022 - ACS Publications
The origin-independent current density induced by a perpendicular magnetic field in the
infinitene molecule has been calculated, confirming the recently presented result by Orozco …

Aromaticity Concepts Derived from Experiments

H Szatylowicz, PA Wieczorkiewicz, TM Krygowski - Sci, 2022 - mdpi.com
Aromaticity, a very important term in organic chemistry, has never been defined
unambiguously. Various ways to describe it come from different phenomena that have been …

Prediction of the ground state for indenofluorene-type systems with Clar's π-sextet model

G George, AJ Stasyuk, M Solà - Chemical Science, 2024 - pubs.rsc.org
This study introduces the Ground State Stability (GSS) rule that allows predicting the nature
of the ground state of indenofluorene (IF)-type systems from the simple counting of the Clar's …

Localized antiaromaticity hotspot drives reductive dehydrogenative cyclizations in bis-and mono-helicenes

Z Zhou, DT Egger, C Hu, M Pennachio… - Journal of the …, 2022 - ACS Publications
We describe reductive dehydrogenative cyclizations that form hepta-, nona-, and decacyclic
anionic graphene subunits from mono-and bis-helicenes with an embedded five-membered …

Disentangling global and local ring currents

D Bradley, M Jirásek, HL Anderson, MD Peeks - Chemical Science, 2023 - pubs.rsc.org
Magnetic field-induced ring currents in aromatic and antiaromatic molecules cause
characteristic shielding and deshielding effects in the molecules' NMR spectra. However, it …

Synthesis and Properties of Thieno[2′,3′,4′:4,5]naphtho[1,8-cd]pyridines

R Molenda, J Polkaehn… - The Journal of …, 2023 - ACS Publications
Thieno [2′, 3′, 4′: 4, 5] naphtho [1, 8-cd] pyridines, S, N-doped pyrene analogs, were
prepared by combination of Pd catalyzed cross-coupling reactions and acid-mediated …

Magnetic response properties of carbon nano-onions

M Orozco-Ic, D Sundholm - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
The magnetic response of a number of double-and triple-layer carbon nano-onions (CNOs)
is analyzed by calculating the magnetically induced current density and the induced …

Synthesis and Properties of 5, 7-Diazaullazines

J Polkaehn, R Molenda, MA Cordero… - The Journal of …, 2024 - ACS Publications
Hitherto unknown 5, 8-substituted-pyrimido [4, 5, 6-ij] pyrrolo [2, 1, 5-de] quinolizines (5, 7-
diazaullazines) were prepared by a three-step synthesis via Clauson-Kaas, Sonogashira …