Laboratory IR Spectra of the Ionic Oxidized Fullerenes C₆₀O⁺ and C₆₀OH.

ABSTRACT: We present the first experimental vibrational spectra of gaseous oxidized derivatives of C₆₀ in protonated and radical cation forms, obtained through infrared multiple-photon dissociation spectroscopy using the FELIX free-electron laser. Neutral C₆₀O has two nearly iso-energetic isomers: the epoxide isomer in which the O atom bridges a CC bond that connects two six-membered rings and the annulene isomer in which the O atom inserts into a CC bond connecting a five- and a six-membered ring. To determine the isomer formed for C₆₀O⁺ in our experiment─a question that cannot be confidently answered on the basis of the DFT-computed stabilities alone─we compare our experimental IR spectra to vibrational spectra predicted by DFT calculations. We conclude

SUBMITTER: Palotas J 

PROVIDER: S-EPMC9125688 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature