Calculations of magnetically induced current densities: theory and applications

D Sundholm, H Fliegl… - Wiley Interdisciplinary …, 2016 - Wiley Online Library
A review of computational studies of magnetically induced current density susceptibilities in
molecules and their relation to experiments is presented. The history of the investigation of …

Porphyrinoids, a unique platform for exploring excited-state aromaticity

J Kim, J Oh, A Osuka, D Kim - Chemical Society Reviews, 2022 - pubs.rsc.org
Recently, Baird (anti) aromaticity has been referred to as a description of excited-state (anti)
aromaticity. With the term of Baird's rule, recent studies have intensively verified that the …

Three-Dimensional Fully π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D?

O El Bakouri, DW Szczepanik, K Jorner… - Journal of the …, 2022 - ACS Publications
Several fully π-conjugated macrocycles with puckered or cage-type structures were recently
found to exhibit aromatic character according to both experiments and computations. We …

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 …

Baird's rules at the tipping point

LJ Karas, JI Wu - Nature chemistry, 2022 - nature.com
Baird’s rules at the tipping point | Nature Chemistry Skip to main content Thank you for visiting
nature.com. You are using a browser version with limited support for CSS. To obtain the best …

Small is beautiful: electronic origin and synthetic evolution of single-benzene fluorophores

H Kim, Y Kim, D Lee - Accounts of Chemical Research, 2023 - ACS Publications
Conspectus Single-benzene fluorophores (SBFs) are small molecules that produce visible
light by using only one benzene ring as the sole aromatic core. This Account centers around …

[图书][B] Aromaticity: Modern Computational Methods and Applications

I Fernández - 2021 - books.google.com
Evaluating the aromaticity of a molecular system and the influence of this concept on its
properties is a crucial step in the development of novel aromatic systems. Modern …

Control and switching of aromaticity in various all-aza-expanded porphyrins: spectroscopic and theoretical analyses

YM Sung, J Oh, WY Cha, W Kim, JM Lim… - Chemical …, 2017 - ACS Publications
Modification of aromaticity is regarded as one of the most interesting and important research
topics in the field of physical organic chemistry. Particularly, porphyrins and their analogues …

Recent advances in ultralong room-temperature phosphorescence materials based on metal–organic halides

Z Qi, B Zhou, D Yan - Materials Chemistry Frontiers, 2023 - pubs.rsc.org
Ultralong room-temperature phosphorescence (RTP) materials showing persistent
luminescence have attracted much attention in the fields of information encryption, light …

[HTML][HTML] The application of aromaticity and antiaromaticity to reaction mechanisms

Q Zhu, S Chen, D Chen, L Lin, K Xiao, L Zhao… - Fundamental …, 2023 - Elsevier
Aromaticity, in general, can promote a given reaction by stabilizing a transition state or a
product via a mobility of π electrons in a cyclic structure. Similarly, such a promotion could …