Computation on radical C59N dimer (C59N)(2) by INDO series methods sug
gests that the introduction of N atom into C-60 distorts the cage with
the N atom stretching out from the cage, the carbon in the 6 - 6 bond
of C and N has large electron density,where two radicals bind to form
dimer (C59N)(2) with C-2v and C-2h symmetry. The C-2v isomer is more
stable than the C-2h and the N atom binds with the connected carbons b
y single bond. The calculated electronic spectrum is consistent well w
ith that of experiment. The dimer (C59N)(2) readily dissociates-to the
monomer.