Muchall, Heidi M., Werstiuk, Nick H, Choudhury, B., Ma, J., Warkentin, J. and Pezacki, J.P. (1998) Thermolysis of 2,2-dimethoxy-5,5-dimethyl- D3- 1,3,4- oxadiazoline studied with photoelectron spectroscopy. He(I) photoelectron spectrum of dimethoxycarbene. Canadian Journal of Chemistry, 76 (2). pp. 238-240. ISSN 0008-4042
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Official URL: http://dx.doi.org/10.1139/cjc-76-2-238
Abstract
Gas phase thermolysis of 2,2-dimethoxy-5,5-dimethyl- D3-1,3,4-oxadiazoline (1) in an ultraviolet photoelectron spectrometer by means of a CW CO2 laser as directed heat source at 26 W gave a complex PE spectrum that included ionization bands belonging to acetone, tetramethoxyethylene (3), and dimethyl oxalate (4). Subtraction of the spectra of acetone, 3, and 4 from the pyrolysis spectrum of 1 left a simple PE spectrum that is attributed to dimethoxycarbene (2) along with some ethane. ecke3LYP/6-31+G* calculations gave first adiabatic and vertical ionization potentials of 2 as well as orbital energies that are in perfect agreement with experimental values. From the available experimental and calculational data, 2 is assumed to adopt a w conformation.
| Divisions: | Concordia University > Faculty of Arts and Science > Chemistry and Biochemistry |
|---|---|
| Item Type: | Article |
| Refereed: | Yes |
| Authors: | Muchall, Heidi M. and Werstiuk, Nick H and Choudhury, B. and Ma, J. and Warkentin, J. and Pezacki, J.P. |
| Journal or Publication: | Canadian Journal of Chemistry |
| Date: | February 1998 |
| Funders: |
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| Digital Object Identifier (DOI): | 10.1139/cjc-76-2-238 |
| Keywords: | dimethoxycarbene, 2,2-dimethoxy- D3-1,3,4-oxadiazoline, tetramethoxyethylene, He(I) photoelectron spectroscopy, thermolysis |
| ID Code: | 6770 |
| Deposited By: | Danielle Dennie |
| Deposited On: | 13 Jul 2010 15:01 |
| Last Modified: | 18 Jan 2018 17:29 |
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