Cyclo[n]carbons are a recently synthesized class of carbon allotropes that offer a unique platform to probe electron delocalization, quantum confinement, and strong correlation effects. Their peculiar electronic properties and bond topologies make them attractive for next-generation molecular optoelectronic, photonic, and quantum technologies. To explore such a potential, a deep understanding of their optical response is necessary. Here, we present the first systematic characterization of the optical response of aromatic cyclo[n]carbons in the whole UV-Vis range, using state-of-the-art many-body methods. Our results show a remarkable tunability of their optical response with respect to ring size and structure, identifying key structure-property relationships. These findings provide a fundamental framework for tailoring the optical properties of pi-conjugated carbon nanorings and offer design principles for their integration into adaptive molecular devices and quantum photonics architectures.
Grillo, S., Pulci, O., Giovannini, T. (2025). The optical response of aromatic cyclocarbons. CHEMICAL SCIENCE [10.1039/d5sc05519a].
The optical response of aromatic cyclocarbons
Grillo, Simone
;Pulci, Olivia;Giovannini, Tommaso
2025-10-14
Abstract
Cyclo[n]carbons are a recently synthesized class of carbon allotropes that offer a unique platform to probe electron delocalization, quantum confinement, and strong correlation effects. Their peculiar electronic properties and bond topologies make them attractive for next-generation molecular optoelectronic, photonic, and quantum technologies. To explore such a potential, a deep understanding of their optical response is necessary. Here, we present the first systematic characterization of the optical response of aromatic cyclo[n]carbons in the whole UV-Vis range, using state-of-the-art many-body methods. Our results show a remarkable tunability of their optical response with respect to ring size and structure, identifying key structure-property relationships. These findings provide a fundamental framework for tailoring the optical properties of pi-conjugated carbon nanorings and offer design principles for their integration into adaptive molecular devices and quantum photonics architectures.| File | Dimensione | Formato | |
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