Chiral helicene nanohoop in One- and Two-photon absorption and ECD spectra

Abstract

The optical and spectral properties of helicene carbon nanoloops with Mobius topology are of great importance in nanoscience and nanotechnology. There are potential applications prospects in many fields. We theoretically investigate the ultraviolet optical properties of Möbius topological helicene carbon nanoloop by density of states, photoelectronic spectrum, the Independent gradient model, charge transfer spectrum and Electronic circular dichroism. This reveals a unique characterization of carbon nanoops using Mobius topology. Our results can not only provide insights into the physical mechanism of optical absorption of Mobius topological helicene carbon nanoloop, but also provide suggestions for potential applications of Mobius topological helicene carbon nanoloop in optical nanodevices.