Cyclo[]carbons and catenanes from different perspectives: disentangling the molecular thread
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 system. In this paper, we summarize and review various properties of cyclo[ n ]carbons, emphasising the aspects of their aromatic...
Saved in:
| Published in | Physical chemistry chemical physics : PCCP Vol. 25; no. 43; pp. 29386 - 2943 |
|---|---|
| Main Authors | , , |
| Format | Journal Article |
| Language | English |
| Published |
Cambridge
Royal Society of Chemistry
08.11.2023
|
| Subjects | |
| Online Access | Get full text |
Cover
Loading…
| Summary: | 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 system. In this paper, we summarize and review various properties of cyclo[
n
]carbons, emphasising the aspects of their aromaticity/antiaromaticity. In the first part, the trends in bonding patterns and selected aromaticity indices with the increasing size of the rings are discussed. In the second part we explore the properties of catenane models based on interlocked cyclo[18]carbon rings from different perspectives and investigate their behaviour under the action of external force using computational experiments.
All-carbon atomic rings, cyclo[
n
]carbons, have recently attracted vivid attention of experimentalists and theoreticians. |
|---|---|
| Bibliography: | We would like to dedicate this article to our late colleague Prof. Alex Boldyrev who significantly contributed to our understanding of aromaticity. Nissrin Alharzali graduated in physics at the University of Monastir (Tunisia) in 2015 and obtained her PhD degree in quantum physics (Laboratory of Interfaces and Advanced Materials, University of Monastir) in 2020 under the supervision of Prof. Hamid Berriche. She carried out short-term stays at the Institute of Fundamental Physics, Spain (2017) and at the University of Lille (2022). Her main interests include structural, spectroscopic, and dynamical study of ionic/neutral atoms/molecules interacting with a rare gas, atmospheric reactivity of pesticides and novel carbon allotropes. Now she has a post-doctoral position at Comenius University (2021-2024). Silvia Kozáková graduated in chemistry at Comenius University in 2018, and she obtained her PhD degree in theoretical and computational chemistry in 2022 under the supervision of Prof. Ivan ernušák. Her main interests are spectroscopic properties of diatomic molecules with heavy atoms and novel carbon allotropes. Currently she is working in the private sector in a software company. Ivan ernušák graduated in chemistry at Comenius University in 1976 where he obtained his PhD degree in 1984 under the supervision of Prof. Miroslav Urban working on statistical-thermodynamical Monte Carlo simulations. In 1982 he became a researcher at Comenius University, and since 1995 he has been working there as an associate professor, later as a full professor (since 2006), in theoretical and computational chemistry. He has been a visiting scientist at Max Planck Institute of Astrophysics (Garching), Quantum Theory Project (Gainesville, FL), University of Vienna, University of Exeter, University of Toru , and visiting professor at the University of Maryland Baltimore County and University of Lille. His scientific interest and activity include atmospheric chemistry, electric properties of atoms/molecules, chemical reactivity of heavy elements and modelling of new materials. In his free time, he paints with tempera colors. https://doi.org/10.1039/d3cp03887d Electronic supplementary information (ESI) available. See DOI ObjectType-Article-2 SourceType-Scholarly Journals-1 ObjectType-Feature-3 content type line 23 ObjectType-Review-1 |
| ISSN: | 1463-9076 1463-9084 |
| DOI: | 10.1039/d3cp03887d |