A STUDY OF THE VACUUM PYROLYSIS OF 11-OXATRICYCLO[6.2.1.0(2,7)]UNDECA-2,9-DIENE - THE HEI ULTRAVIOLET PHOTOELECTRON-SPECTRUM OF 1,2-CYCLOHEXADIENE

Authors
WERSTIUK NH ROY CD MA JG
Citation
Nh. Werstiuk et al., A STUDY OF THE VACUUM PYROLYSIS OF 11-OXATRICYCLO[6.2.1.0(2,7)]UNDECA-2,9-DIENE - THE HEI ULTRAVIOLET PHOTOELECTRON-SPECTRUM OF 1,2-CYCLOHEXADIENE, Canadian journal of chemistry, 74(10), 1996, pp. 1903-1905
Citations number
14
Categorie Soggetti
Chemistry
Journal title
Canadian journal of chemistry → ACNP
ISSN journal
00084042
Volume
74
Issue
10
Year of publication
1996
Pages
1903 - 1905
Database
ISI
SICI code
0008-4042(1996)74:10<1903:ASOTVP>2.0.ZU;2-D
Abstract
A newly developed ultraviolet photoelectron spectrometer-CO2 laser app aratus that utilizes a 50-watt CW CO2 laser as a directed heat source is used to study the vacuum pyrolysis of 11-oxatricyclo[6.2.1.0(2,7)]u ndeca-2,9-diene (4), We report the HeI photoelectron spectrum of the s trained cyclic allene 1,2-cyclohexadiene (1) that correlates with the HAM/3 ionization energies calculated with the optimized C-2 equilibriu m structure obtained with AM1 and the molecular orbital energies of th e optimized C-2 equilibrium structure calculated at the ab initio HF/6 -31G* level of theory.