The equilibrium structures of linear carbon clusters of type C2n+l (n=1-4)

Authors
Botschwina, P
Citation
P. Botschwina, The equilibrium structures of linear carbon clusters of type C2n+l (n=1-4), THEOR CH AC, 104(2), 2000, pp. 160-162
Citations number
20
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
THEORETICAL CHEMISTRY ACCOUNTS
ISSN journal
1432881X → ACNP
Volume
104
Issue
2
Year of publication
2000
Pages
160 - 162
Database
ISI
SICI code
1432-881X(200006)104:2<160:TESOLC>2.0.ZU;2-L
Abstract
On the basis of large-scale coupled-cluster calculations including connecte d triple substitutions accurate equilibrium structures have been establishe d for the linear carbon chain molecules with an odd number of carbon atoms up to C-9. The individual equilibrium bond lengths are indicative of strong double bonds in all cases.