Synthesis of Cyclo[18]carbon via Debromination of C18Br6
Cyclo [18] carbon (C18, a molecular carbon allotrope) can be synthesized by
dehalogenation of a bromocyclocarbon precursor, C18Br6, in 64% yield, by atomic …
dehalogenation of a bromocyclocarbon precursor, C18Br6, in 64% yield, by atomic …
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 …
external electric field (EEF) has an ultrastrong regulation effect on various aspects of the …
Exploring the Aromaticity Differences of Isoelectronic Species of Cyclo[18]carbon (C18), B6C6N6, and B9N9: The Role of Carbon Atoms as Connecting Bridges
Y Wu, Z Liu, T Lu, M Orozco-Ic, J Xu, X Yan… - Inorganic …, 2023 - ACS Publications
The cyclo [18] carbon (C18) has piqued widespread interest in recent years for its
geometrical aesthetic and unique electronic structure. Inspired by it, theoretical …
geometrical aesthetic and unique electronic structure. Inspired by it, theoretical …
Quantum Tunneling Instability in Pericyclic Reactions
A Frenklach, H Amlani, S Kozuch - Journal of the American …, 2024 - ACS Publications
Several cycloreversion reactions of the retro-Diels–Alder type were computationally
assessed to understand their quantum tunneling (QT) reactivity. N2, CO, and other leaving …
assessed to understand their quantum tunneling (QT) reactivity. N2, CO, and other leaving …
Cyclo [18] carbon as an ultra-elastic molecular O-ring with unique mechanical properties
Recent atomic manipulation by an AFM tip created the first sp-hybridized carbon material–
cyclo [18] carbon. Herein, we revealed the unique mechanical properties of cyclo [18] …
cyclo [18] carbon. Herein, we revealed the unique mechanical properties of cyclo [18] …
Sensing behaviour of monocyclic C18 and B9N9 analogues toward chemical warfare agents (CWAs); quantum chemical approach
This study describes the first demonstration of using monocyclic C 18 and B 9 N 9 as active
materials for the sensing and removing of chemical warfare agents (CWAs) such as …
materials for the sensing and removing of chemical warfare agents (CWAs) such as …
Aromaticity of Even-Number Cyclo[n]carbons (n = 6–100)
The recently synthesized cyclo [18] carbon molecule has been characterized in a number of
studies by calculating electronic, spectroscopic, and mechanical properties. However, cyclo …
studies by calculating electronic, spectroscopic, and mechanical properties. However, cyclo …
Induced magnetic field in sp-hybridized carbon rings: analysis of double aromaticity and antiaromaticity in cyclo [2 N] carbon allotropes
ND Charistos, A Muñoz-Castro - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
The induced magnetic field of C2N (N= 3–14) carbon rings was dissected to contributions
from out-of-plane and in-plane π orbitals revealing two concurrent long range shielding or …
from out-of-plane and in-plane π orbitals revealing two concurrent long range shielding or …
Accurate theoretical evaluation of strain energy of all-carboatomic ring (cyclo [2n] carbon), boron nitride ring, and cyclic polyacetylene
T Lu, Z Liu, Q Chen - Chinese Physics B, 2022 - iopscience.iop.org
Cyclocarbon fully consists of sp-hybridized carbon atoms, which shows quite unusual
electronic and geometric structures compared to common molecules. In this work, we …
electronic and geometric structures compared to common molecules. In this work, we …
Achieving Adaptive Aromaticity in Cyclo [10] carbon by Screening Cyclo [n] carbon (n= 8− 24)
C Dai, D Chen, J Zhu - Chemistry–An Asian Journal, 2020 - Wiley Online Library
Discovery of species with adaptive aromaticity (being aromatic in both the lowest singlet and
triplet states) is particularly challenging as cyclic species are generally aromatic either in the …
triplet states) is particularly challenging as cyclic species are generally aromatic either in the …