Electronic Spectrum of Dihydrogenated Buckminsterfullerene in a 6 K Neon Matrix

摘要

Vibrationally resolved electronic absorption spectrum of 1,2-dihydrogenated[60] fullerene has been recorded in a 6 K neon matrix after mass-selected deposition of m/z = 722 cations produced from reaction of protonated methane and C-60 in an ion source. One system has the origin band at 688.5 +/- 0.1 nm and another commencing at 404.8 +/- 0.1 nm. Theoretical computations were used to calculate the relative energies of three isomers of dihydrogenated[60] fullerene and time-dependent density functional theory predicted the vertical excitations to 50 electronic states. (C) The Author(s) 2017. Published by ECS.