Photoelectron spectra of at (a) , (b) , (c) , and (d) . The vertical lines in (a) represent vibrational features. Signals due to a C–C cleaved isomer are labeled.
Pictures of the lowest unoccupied molecular orbital (LUMO) and of drawn with the MOLEKEL visualization package (Ref. 36).
The first two detachment transitions (X and A) that can derive from the nearly degenerate triplet and singlet states of , as well as the measured detachment energies.
Franck–Condon factor simulation for the transition between the state of and the state of . The Franck–Condon factors were convoluted with Gaussians of FWHM.
Pictures of the highest occupied molecular orbital (HOMO) and of the C–C bond cleaved isomer.
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