Cyclo[<i>n</i>]carbons and catenanes from different perspectives: disentangling the molecular thread
Silvia Kozáková, Nissrin Alharzali, Ivan Černušák
Abstract
]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.
Topics & Concepts
CatenaneAromaticityAntiaromaticityThread (computing)Computational chemistryCarbon fibersChemical physicsChemistryNanotechnologyMaterials scienceMoleculeComputer scienceOrganic chemistryOperating systemComposite numberComposite materialSynthesis and Properties of Aromatic CompoundsFullerene Chemistry and ApplicationsSynthesis and characterization of novel inorganic/organometallic compounds