J. Laskin et al., NEW EVIDENCE IN FAVOR OF A HIGH (10 EV) C-2 BINDING-ENERGY IN C-60, International journal of mass spectrometry and ion processes, 177(2-3), 1998, pp. 9-13
Citations number
28
Categorie Soggetti
Spectroscopy,"Physics, Atomic, Molecular & Chemical
Time resolved metastable fractions (MFs) for C-2 evaporations from C-n
(+) ions (n = 52,54,56,58) were measured on an ion trap/reflectron and
modeled using both microcanonical dissociative and radiative decay ra
te constants. The concomitant fitting procedure required the use of hi
ghly loose transition states with activation entropies, Delta S# - 14-
19 eu. Using the same modeling procedure also allows one to reproduce
the major features of previously published breakdown curves for these
ions. The present modeling leads also to high C-2 binding energies wit
h a value for C-60(+) of Delta E = 9.5 eV. Using a simple thermochemic
al cycle leads to a value in slight excess of 10 eV for the binding en
ergy of neutral C-60, in excellent agreement with recent ab initio cal
culations. (Int J Mass Spectrom 177 (1998) L9-L13) (C) 1998 Elsevier S
cience B.V.