Heats of formation for cyclic C4Fn, n=4-8, and their cations

Authors
Bauschlicher, CW Ricca, A
Citation
Cw. Bauschlicher et A. Ricca, Heats of formation for cyclic C4Fn, n=4-8, and their cations, J PHYS CH A, 104(39), 2000, pp. 9026-9028
Citations number
17
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
104
Issue
39
Year of publication
2000
Pages
9026 - 9028
Database
ISI
SICI code
1089-5639(20001005)104:39<9026:HOFFCC>2.0.ZU;2-O
Abstract
Heats of formation for cyclic C4F8 and C4F8+ are determined at the G3MP2 le ver. The several decomposition pathways are investigated. The calculations confirm that C4F8+ rearranges and its decomposition is responsible for both the C2F4+ and C3F5+ species observed in experiment. The heats of formation are presented for C4Fn and C4Fn+, n = 4-8.