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Thermolysis of 2,2-dimethoxy-5,5-dimethyl- D3- 1,3,4- oxadiazoline studied with photoelectron spectroscopy. He(I) photoelectron spectrum of dimethoxycarbene

Title:

Thermolysis of 2,2-dimethoxy-5,5-dimethyl- D3- 1,3,4- oxadiazoline studied with photoelectron spectroscopy. He(I) photoelectron spectrum of dimethoxycarbene

Muchall, Heidi M. and Werstiuk, Nick H and Choudhury, B. and Ma, J. and 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:
  • Natural Sciences and Engineering Research Council of Canada
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 11:01
Last Modified:08 Dec 2010 18:08
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