Chemistry of Cyclo[18]Carbon (C18): A Review

Pooja, S Yadav, R Pawar - The Chemical Record, 2024 - Wiley Online Library
Carbon‐based allotropes are propelling a technological revolution in communication,
sensing, and computing, concurrently challenging fundamental theories of the previous …

Cyclo [n] carbons and catenanes from different perspectives: disentangling the molecular thread

S Kozáková, N Alharzali, I Černušák - Physical Chemistry Chemical …, 2023 - pubs.rsc.org
All-carbon atomic rings, cyclo [n] carbons, have recently attracted vivid attention of
experimentalists and theoreticians. Among them, cyclo [18] carbon is the most studied …

Nitrobenzene detection using pristine and transition metal-decorated C [18] cyclocarbon: A first-principles density functional theory study

S Lakshmy, S Joseph, G Sanyal, N Kalarikkal… - Journal of Applied …, 2022 - pubs.aip.org
Carbon-based nanomaterials have been extensively used for gas or biomolecule sensing
applications in recent years. Nitrobenzene (NB) is one of the major environmental pollutants …

[HTML][HTML] Electronic structure, absorption spectra and oxidation dynamics in polyynes and dicyanopolyynes

L Chalkopiadis, K Lambropoulos… - Physical Chemistry …, 2024 - pubs.rsc.org
The advent of femtosecond to attosecond experimental tools has made now possible to
study such ultrafast carrier dynamics, eg, the spatial and temporal charge density evolution …

Methane Activation by [OsC3]+: Implications for Catalyst Design

S Li, XN Wu, S Zhou - The Journal of Physical Chemistry Letters, 2023 - ACS Publications
Gas-phase reactions of [OsC3]+ with methane at ambient temperature have been studied by
using quadrupole-ion trap mass spectrometry combined with quantum chemical …

[HTML][HTML] Evaluating the interactions between vibrational modes and electronic transitions using frontier orbital energy derivatives

LA Schröder, HL Anderson, I Rončević - Chemical Communications, 2024 - pubs.rsc.org
Vibrations affect molecular optoelectronic properties, even at zero kelvin. Accounting for
these effects using computational modelling is costly, as it requires many calculations at …

[HTML][HTML] Giant quantum anharmonic effects on the stability, vibrational and optical properties of cyclo [4n+ 2] carbon

D Romanin, M Calandra - Carbon Trends, 2022 - Elsevier
Abstract Cyclo [4 n+ 2] carbons are sp-bonded carbon rings in which Hückel rule predicts a
fully symmetric structure that is, however, in competition with the second order Jahn–Teller …

Evaluating the Interactions Between Vibrational Modes and Electronic Transitions Using Frontier Orbital Derivatives

LA Schröder, HL Anderson, I Rončević - 2024 - chemrxiv.org
Vibrations can significantly affect molecular properties, even at zero Kelvin. Accounting for
these effects when using computational modelling is costly, as it requires many calculations …