CHED 943 |
| In solution, methanol self-associates to form a variety of hydrogen-bonded molecular clusters. Determination of the nature of these clusters using available spectroscopic data is not straightforward. This work examines the dependence of O-H stretch vibrational frequencies and transition strengths in the various microenvironments (positions within a cluster) via density functional theory (DFT) calculations. Raman spectra are also acquired for differing concentrations of CD3OH in CCl4 solvent, allowing the observation of growth and disappearance of various spectral features. The experimental Raman lineshapes are compared to the DFT results. A number of different microenvironments are identified that are consistent with both the experimental and computational data. Results are also compared to previous infrared absorption data of CD3OH in CCl4. |
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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 |