Kb. Shelimov et al., SMALL CARBON RINGS - DISSOCIATION, ISOMERIZATION, AND A SIMPLE-MODEL BASED ON STRAIN, International journal of mass spectrometry and ion processes, 138, 1994, pp. 17-31
Citations number
38
Categorie Soggetti
Spectroscopy,"Physics, Atomic, Molecular & Chemical
Injected ion drift tube techniques have been used to examine the prope
rties of carbon rings with 10-36 atoms. Previous studies have shown th
at the monocyclic ring is the dominant isomer for annealed clusters wi
th 10-36 atoms, while for unannealed clusters a bicyclic ring first ap
pears at n approximate to 22 and becomes the dominant isomer for n > 3
0. A detailed study of the annealing of the bicyclic ring has been per
formed for clusters with 24-36 atoms. Activation energies for the bicy
clic to monocyclic transition are around 2.4eV and show a slight syste
matic decrease with increasing duster size. The fragmentation of carbo
n cluster ions containing 6-30 atoms has been studied and dissociation
energies estimated. A simple model for the strain energy of the carbo
n rings accounts for many of their physical properties, including isom
erization to monocyclic rings, their fragmentation patterns, and disso
ciation energies. From simple estimates of their stabilities, planar g
raphite fragments should be lower in energy than the monocyclic rings
for medium sized clusters (n > 30), but little, if any, of this isomer
is observed even after annealing. The low abundance of the graphite f
ragments is attributed to the large activation energy (induced by stra
in energy) for their formation from monocyclic rings.