1	What did DeBoer do at the US Space Force last summer? Gary DeBoer Associate Professor of Chemistry LeTourneau University Longview, TX Oct. 20, 2005
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6	Model Reactions of Interest Using GaussianW03
7	General Experimental Methodology
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10	Ar/C₂H₄/SO₂ = 120/100/10 sccm, 1.4 torr, 8 cm^-1 res.
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12	General Calculation Methodology
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24	Ethene Results Agreement with literature Quantitative Qualitative ISC of ketocarbene from triplet to singlet produces a structure that optimizes to the aldehyde
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31	Propene Results Agreement with literature Less to go on here ISC of ketocarbene from triplet to singlet produces a structure that may lead to the propanal, or possibly to formaldehyde and ethene.
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34	Conclusions Gaussian can calculate energy pathways The unrestricted DFT B3LYP 6-31+(d,p) seems to compare well with some experimental results for ethene. TS results are the most challenging. If it works for ethene, it may be applicable to propene, butene, etcene. The results are for systems with no rotational or vibrational energies-can’t calculate hot spectra. The work is easily portable and we can continue the alkene work at LeTourneau.
35	Future Work? Look more at non isodesmic singlet dissociations Bit more complicated Larger hydrocarbons, butenes Number of reactions increases Calculation time increases with larger molecules US Space Force
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