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Resonance energy in methyl acetate and its valence-isoelectronic analogs containing sulfur and selenium [abstract]
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Resonance energy in methyl acetate and its valence-isoelectronic analogs containing sulfur and selenium [abstract]
Please use this identifier to cite or link to this item: http://hdl.handle.net/10355/1465
| Title: | Resonance energy in methyl acetate and its valence-isoelectronic analogs containing sulfur and selenium [abstract] |
| Author: | Ludden, Alicia |
| Contributor: | University of Missouri-Columbia. Office of Undergraduate Research |
| Keywords: |
thermoneutrality
acetylcholine chalcogen derivatives |
| Date: | 2006 |
| Publisher: | University of Missouri - Columbia Office of Undergraduate Research |
| Abstract: | A convenient definition of resonance energy is the deviation from thermoneutrality of the reaction: CH3C(X)CH3 + CH3YCH3 + CH3C(X)YCH3 + C2H6, where X and Y are O, S, and Se. The results of G2 and G3 calculations will be discussed and compared with the almost non-existent experimental literature. This study is of relevance to acetylcholine and its heavier chalcogen derivatives: CH3C(X)YCH3 + CH3C(O)O(CH2)2N(CH3)3+ CH3C(X)Y(CH2)2N(CH3)3+ + CH3C(O)OCH3. |
| URI: | http://hdl.handle.net/10355/1465 |
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2006 Undergraduate Research and Creative Achivements Forum (MU) [127]
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