Journal of Physical Chemistry A, Vol.120, No.29, 5868-5873, 2016
IR and UV-NIR Absorption Spectroscopy of Matrix-Isolated C-70(+) and C-70(-)
C-70(+) ions were mass-selectively deposited into a neon or an argon matrix at 5 K. Like in the case of C-60(+) deposition, soft landing into a rare gas matrix is associated with some charge-exchange processes such that C-70(+) as well as resulting C-70 and C-70(-) can be probed simultaneously. In contrast with a very good coincidence of the experimental and DFT-calculated IR spectra of C-60(+/-/2+), DFT predictions for C-70(+/-) IR absorptions strongly deviate from our measurements. A possible explanation for this could be low-lying electronically excited states of C-70(+/-) in the vicinity of vibrational energy levels. The corresponding non-Born-Oppenheimer case is likely of significant interest to theory.