Al. Alexandrov et Va. Schweigert, A KINETIC-MODEL OF CARBON CLUSTER GROWTH INCLUDING POLYCYCLIC RINGS AND FULLERENE FORMATION, Chemical physics letters, 263(3-4), 1996, pp. 551-558
The discovery of polycyclic cluster formation in condensing carbon, to
gether with their spontaneous conversion to fullerenes, offered a poss
ibility to explain the mechanism of fullerene formation in carbon vapo
r. A kinetic model of these processes, based on previous quantum-chemi
cal calculations, is described here. Five basic cluster isomer types a
re considered. The main kinetic mechanisms of the model are the coales
cence between all types of clusters and conversion of polycyclic rings
to fullerenes. The model gives substantial agreement with a row of ex
perimental observations. The isomer abundances, shape of mass spectra
and high mass yield of fullerenes can be described quiet well.