CHED 969 |
| Heats of formation of pyrazine, phenylpyrazine, diphenylpyrazine, triphenylpyrazine, and tetraphenylpyrazine were calculated employing the ab initio GAMESS program with a large basis set. The ground state structure and vibrational frequencies were computed for all the various phenylpyrazines. The computed heats of formation showed increasingly larger negative values as phenyl rings were added. Comparison with experimental values will be given. |
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Undergraduate Research Poster Session: Physical Chemistry
2:00 PM-4:00 PM, Monday, April 7, 2008 Morial Convention Center -- Hall A, Poster
Division of Chemical Education |