Current density and molecular magnetic properties

D Sundholm, M Dimitrova, RJF Berger - Chemical Communications, 2021 - pubs.rsc.org
We give an overview of the molecular response to an external magnetic field perturbing
quantum mechanical systems. We present state-of-the-art methods for calculating …

Chemical synthesis of carbon nanorings and nanobelts

Y Li, H Kono, T Maekawa, Y Segawa… - Accounts of Materials …, 2021 - ACS Publications
Conspectus The discovery and creation of new forms of carbon have always transformed the
scientific landscape. For example, the discoveries of fullerenes, carbon nanotubes (CNTs) …

Methylene-Bridged [6]-,[8]-, and [10] Cycloparaphenylenes: Size-dependent properties and paratropic belt currents

H Kono, Y Li, R Zanasi, G Monaco… - Journal of the …, 2023 - ACS Publications
Cycloparaphenylenes (CPPs) and carbon nanobelts (CNBs) represent some of the most
iconic cyclic molecular nanocarbons in recent chemistry owing to their unique properties …

Tunable Macrocyclic Polyparaphenylene Nanolassos via Copper‐Free Click Chemistry

TA Schaub, A Zieleniewska, R Kaur… - … A European Journal, 2023 - Wiley Online Library
Deriving diverse compound libraries from a single substrate in high yields remains to be a
challenge in cycloparaphenylene chemistry. In here, a strategy for the late‐stage …

Charge delocalization and global aromaticity in a partially fused 12-porphyrin nanoring

SM Kopp, H Gotfredsen, J Hergenhahn… - Chem, 2024 - cell.com
Aromatic and antiaromatic ring currents can reveal global electronic delocalization around
the circumference of π-conjugated macrocycles, although these phenomena are poorly …

Triplet state baird aromaticity in macrocycles: Scope, limitations, and complications

R Ayub, O El Bakouri, JR Smith, K Jorner… - The Journal of …, 2021 - ACS Publications
The aromaticity of cyclic 4 n π-electron molecules in their first ππ* triplet state (T1), labeled
Baird aromaticity, has gained growing attention in the past decade. Here we explore …

Magnetic Aromaticity of Cycloporphyrin Nanorings

A Landi, FF Summa, G Monaco - Chemistry, 2021 - mdpi.com
The ascertainment of magnetic aromaticity is not necessarily straightforward, especially for
large and bent systems, such as the cycloporphyrin nanorings recently synthesized by the …

Time-Independent Electron Current Density

FF Summa - Molecular Properties via Induced Current Densities, 2024 - Springer
This chapter has a dual aim. The first is to report the equations defining total electron current
density induced by static and uniform magnetic and electric fields in the presence of a spin …