CHED 1375 |
| This work will present the structural analysis of a series of recently synthesized 1-phenyl isatin semicarbazones and thiosemicarbazones. Isatin compounds are important for their biological and antiviral properties. A manual conformational search was performed using the AM1 semi-empirical quantum method. Several key low energy structures were then further optimized and characterized using ab initio methods. In particular, proton and 13C-NMR shifts were calculated and favorably compared to experimental values. |
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Undergraduate Research Poster Session: Physical Chemistry
2:00 PM-4:00 PM, Monday, March 26, 2007 Hyatt Regency Chicago -- Riverside Center, Poster
Division of Chemical Education |