Intermolecular interaction characteristics of the all-carboatomic ring, cyclo [18] carbon: Focusing on molecular adsorption and stacking

Z Liu, T Lu, Q Chen - Carbon, 2021 - Elsevier
Recently, an intriguing all-carboatomic ring, cyclo [18] carbon, was observed in the
condensed phase for the first time, and it quickly attracted widespread attention. In this …

Potential optical molecular switch: Lithium@ cyclo [18] carbon complex transforming between two stable configurations

Z Liu, X Wang, T Lu, A Yuan, X Yan - Carbon, 2022 - Elsevier
Doping alkali metal atoms, especially lithium (Li), in nanocarbon materials has always been
considered to be one of the most effective methods to improve the optical properties of the …

An sp-hybridized all-carboatomic ring, cyclo [18] carbon: Bonding character, electron delocalization, and aromaticity

Z Liu, T Lu, Q Chen - Carbon, 2020 - Elsevier
Abstract cyclo [18] carbon is an all-carboatomic ring observed recently in experiment.
Inspired by the distinctive feature in structure and bonding nature, we explored …

New paradigms in molecular nanocarbon science

IA Stepek, M Nagase, A Yagi, K Itami - Tetrahedron, 2022 - Elsevier
The discovery and study of new forms of carbon has always been inextricably linked to
breakthroughs in science and technology. A flurry of recent developments in the synthesis of …

Synthesis of Cyclo[18]carbon via Debromination of C18Br6

LM Scriven, K Kaiser, F Schulz, AJ Sterling… - Journal of the …, 2020 - ACS Publications
Cyclo [18] carbon (C18, a molecular carbon allotrope) can be synthesized by
dehalogenation of a bromocyclocarbon precursor, C18Br6, in 64% yield, by atomic …

Electronic Structure and Aromaticity of an Unusual Cyclo[18]carbon Precursor, C18Br6**

X Wang, Z Liu, J Wang, T Lu, W Xiong… - … A European Journal, 2023 - Wiley Online Library
Herein, the electronic structure and bonding character of the stable cyclo [18] carbon (C18)
precursor, C18Br6, are thoroughly characterized by molecular orbital (MO), density of states …

An Ab‐initio Study of the C18 nanocluster for Hazardous Gas Sensor Application

S Vadalkar, D Chodvadiya, NN Som, KN Vyas… - …, 2022 - Wiley Online Library
Understanding the interaction mechanism of CO, NO, and NH3 gas molecules with cyclo
[18] carbon (C18 nanocluster) is important in developing C18 nanocluster based sensors for …

Ultrastrong regulation effect of the electric field on the all‐carboatomic ring cyclo [18] carbon

T Lu, Q Chen - ChemPhysChem, 2021 - Wiley Online Library
Cyclo [18] carbon has a very unique geometry and electronic structure. We found that an
external electric field (EEF) has an ultrastrong regulation effect on various aspects of the …

Photophysical properties and optical nonlinearity of cyclo [18] carbon (C 18) precursors, C 18–(CO) n (n= 2, 4, and 6): Focusing on the effect of the carbonyl groups

X Wang, Z Liu, X Yan, T Lu, H Wang… - Physical Chemistry …, 2022 - pubs.rsc.org
The electronic spectra and (hyper) polarizability of C18–(CO) n (n= 2, 4, and 6) are studied
using theoretical calculations to reveal the effect of introducing carbonyl (–CO) groups on …

Bonding Character, Electron Delocalization, and Aromaticity of Cyclo[18]Carbon (C18) Precursors, C18‐(CO)n (n=6, 4, and 2): Focusing on the Effect of Carbonyl …

X Wang, Z Liu, X Yan, T Lu, W Zheng… - … –A European Journal, 2022 - Wiley Online Library
The bonding character, electron delocalization, and aromaticity of the cyclo [18] carbon
(C18) precursors, C18‐(CO) n (n= 6, 4, and 2), have been studied by combining quantum …