CHED 1017 |
| Tetraazidomethane, a colorless compound synthesized only last year, is remarkable for both its extreme instability and the destructive force of its decomposition. These physical properties make experimental studies difficult. For example, pure tetraazidomethane was deemed too dangerous to weigh on a balance by its creator, making even percent yield difficult to determine. However, the dangers of working with tetraazidomethane are negated by using theoretical methods. We have performed a number of computations on tetraazidomethane using both density functional theory and post-Hartree Fock correlated methods. While a previous paper has described the geometry of this compound, we have computed a minimum geometry that differs both in bond angles and in the point group to which it belongs. We also report novel point groups that tetraazidomethane can assume. In addition, we have calculated the vibrational frequencies for each conformation, and our results further confirm the reassignment of the ground point group. |
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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 |