Study of the vacuum pyrolysis of 11-oxatricyclo[6.2.1.02,7]undeca-2,9-diene. The HeI ultraviolet photoelectron spectrum of 1,2-cyclohexadiene

Article abstract of DOI:10.1139/v96-214

A newly developed ultraviolet photoelectron spectrometer - CO₂ laser apparatus 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]undeca-2,9-diene (4). We report the HeI photoelectron spectrum of the strained cyclic allene 1,2-cyclohexadiene (1) that correlates with the HAM/3 ionization energies calculated with the optimized C₂ equilibrium structure obtained with AM1 and the molecular orbital energies of the optimized C₂ equilibrium structure calculated at the ab initio HF/6-31G** level of theory.