In-situ infrared spectroscopy of a photoirradiated potassium-doped C-60 film

Photodimerization between C-60 molecules in a potassium-doped C60 film (a m ixture of alpha-60 and K3C60 phases) has been investigated using in-situ Fo urier-transform (FT) infrared spectroscopy in combination with tight-bindin g molecular dynamics calculations. A comparison of the experimental spectru m of C-60 dimers, which was found to be a main product in the photoirradiat ed K-doped film using an FT mass spectrometer, with the theoretical spectra for several isomers of C-120 suggests that C-120 species with structures s imilar to a bucky peanut were formed in the photoirradiated film. (C) 1999 Elsevier Science B.V. All rights reserved.