Sadjadi S.A., Kwok S., Cataldo F., García-Hernández D. A., Manchado A., A theoretical investigation of the possible detection of C24 in space, 2020, Fullerenes, Nanotubes and Carbon Nanostructures, 28, 637


Astronomical infrared spectral features at ∼6.6, 9.8 and 20 µm have recently been suggested as being due to the planar graphene form of C24 carbon cluster. Here, we report density functional theory and coupled cluster calculations on wavefunctions stability, relative energies and infrared spectra of four different types of C24 isomers, including the graphene and fullerene forms. The types of vibrational motions under these bands are also discussed. Among the four isomers, we find that the astronomical data are best approximated by the graphene form of C24.