A KINETIC-MODEL OF CARBON CLUSTER GROWTH INCLUDING POLYCYCLIC RINGS AND FULLERENE FORMATION

Citation
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
Citations number
20
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
263
Issue
3-4
Year of publication
1996
Pages
551 - 558
Database
ISI
SICI code
0009-2614(1996)263:3-4<551:AKOCCG>2.0.ZU;2-1
Abstract
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.