J. Stinchcombe et al., BUCKMINSTERFULLERIDE(1-) SALTS - SYNTHESIS, EPR, AND THE JAHN-TELLER DISTORTION OF C-60-, Journal of the American Chemical Society, 115(12), 1993, pp. 5212-5217
Synthetic methods are reported for the isolation of a number of buckmi
nsterfulleride(1-) salts. Counterions include cobaltocenium ion, Na(di
benzo-18-crown-6)+, and -methylimidazole)(tetraphenylporphinato)tin(IV
)2+. The EPR spectrum of C60- in frozen solution shows two unusual fea
tures. First, there is a counterion-dependent anisotropy observed at l
ow temperatures. This is ascribed to an ellipsoidal distortion induced
by ion pairing. It is consistent with, but not directly ascribable to
, a static Jahn-Teller distortion. Second, there are two components to
the high-temperature spectrum: the broad essentially isotropic, major
signal and a narrower ''spike''. The narrower signal is ascribed to t
hermal population of a low-lying excited state, a natural consequence
of the distortion that splits the 2T1u. state into closely spaced 2E a
nd 2A states. In contrast to intuition and to ab initio calculations,
the 2E state is lowest in most systems studied to date.