Author:
Werstiuk Nick Henry,Roy Chandra Deo,Ma Jiangong
Abstract
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[6.2.1.02,7]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. Key words: 11-oxatricyclo[6.2.1.02,7]undeca-2,9-diene, vacuum pyrolysis, HeI ultraviolet photoelectron spectrum, 1,2-cyclohexadiene.
Publisher
Canadian Science Publishing
Subject
Organic Chemistry,General Chemistry,Catalysis
Cited by
9 articles.
订阅此论文施引文献
订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Efficient Trapping of 1,2-Cyclohexadienes with 1,3-Dipoles;Chemistry - A European Journal;2016-06-27
2. Pyrolysis of 2-methoxy-5,5-dimethyl-2-methylthio- 2,5-dihydro[1,3,4]oxadiazole studied with photoelectron spectroscopy and DFT calculations He(I) photoelectron spectrum of methoxy(methylthio)carbene;Canadian Journal of Chemistry;2006-04-01
3. Bicyclo[3.2.0]hepta-1,3,6-triene UV photoelectron spectroscopic and computational studies;Canadian Journal of Chemistry;2005-09-01
4. Computational Assessment of the Electronic Structures of Cyclohexa-1,2,4-triene, 1-Oxacyclohexa-2,3,5-triene (3δ2-Pyran), Their Benzo Derivatives, and Cyclohexa-1,2-diene. An Experimental Approach to 3δ2-Pyran;Journal of the American Chemical Society;2001-12-15
5. Intramolecular [4 + 2] Cycloaddition Reaction of Six- and Seven-Membered Cyclic N-Allyl-C-arylethynyl Iminium Salts;The Journal of Organic Chemistry;2001-04-11