Isomerization of cubane radical cation

Authors
Marcinek, A Rogowski, J Gebicki, J Chen, GF Williams, F
Citation
A. Marcinek et al., Isomerization of cubane radical cation, J PHYS CH A, 104(22), 2000, pp. 5265-5268
Citations number
23
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
104
Issue
22
Year of publication
2000
Pages
5265 - 5268
Database
ISI
SICI code
1089-5639(20000608)104:22<5265:IOCRC>2.0.ZU;2-6
Abstract
Upon ionization, cubane undergoes facile breaking of three C-C bonds leadin g to the bis-cyclobutenylium radical cation. This process is compared with the formation of the same product by cleavage of only one central bond in t he syn-tricyclooctadiene radical cation. The kinetics of the isomerization process is also discussed, and it is concluded that a small barrier (2.5 kc al/mol) exists in contrast to the barrier-free transformation of the syn-tr icyclooctadiene radical cation.