Mechanistic studies of transition-metal-catalyzed [2+ 2+ 2] cycloaddition reactions

A Roglans, A Pla-Quintana, M Sola - Chemical Reviews, 2020 - ACS Publications
The development of catalytic methodologies involving the formation of C–C bonds to enable
the generation of cyclic systems constitutes a field of great relevance in synthetic organic …

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 …

[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 …

Performance of DFT functionals for calculating the second-order nonlinear optical properties of dipolar merocyanines

L Lescos, SP Sitkiewicz, P Beaujean… - Physical Chemistry …, 2020 - pubs.rsc.org
The second-order nonlinear optical responses of a series of recently designed dipolar
merocyanines are investigated using the 2006 Minnesota family of hybrid exchange …

How Aromatic Are Molecular Nanorings? The Case of a Six‐Porphyrin Nanoring

I Casademont‐Reig, R Guerrero‐Avilés… - Angewandte …, 2021 - Wiley Online Library
Large conjugated rings with persistent currents are novel promising structures in molecular‐
scale electronics. A six‐porphyrin nanoring structure that allegedly sustained an aromatic …

Core-electron contributions to the magnetic response of molecules with heavy elements and their significance in aromaticity assessments

M Orozco-Ic, L Soriano-Agueda, D Sundholm… - Chemical …, 2024 - pubs.rsc.org
This study delves into the magnetic response of core electrons and their influence on the
global magnetic response of planar and three-dimensional systems containing heavy …

On-surface synthesis of square-type porphyrin tetramers with central antiaromatic cyclooctatetraene moiety

EC Rascon, A Riss, A Matěj… - Journal of the …, 2022 - ACS Publications
The synthesis of two-dimensionally extended polycyclic heteroatomic molecules keeps
attracting considerable attention. In particular, frameworks bearing planar …

Optical properties of novel conjugated nanohoops: Revealing the effects of topology and size

Z Liu, T Lu - The Journal of Physical Chemistry C, 2020 - ACS Publications
The unique properties of chemical materials are usually related to the topology and size of
their constituent unit. Inspired by a previous report on the synthesis of a separable catenane …

Understanding Aromaticity in [5] Helicene-Bridged Cyclophanes: A Comprehensive Study

M Orozco-Ic, L Soriano-Agueda… - The Journal of …, 2024 - ACS Publications
This study explores the aromaticity of doubly [5] helicene-bridged (1, 4) cyclophane and
triply [5] helicene-bridged (1, 3, 5) cyclophane via calculations of the magnetic response and …