Chemical Shifts of Common Alcohols

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Student Presentation

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Clifford LeMaster


Seven alcohols are being analyzed using Nuclear Magnet Resonance (NMR) to determine the chemical shifts of the hydrogen on the alcohol group. The oxygen in the alcohol group is more electronegative which causes the hydrogen closer to its electronegative field to shift down field on the NMR. This helps determine the location of the alcohol group based on the location of the peaks on the NMR spectra. The reason these alcohols are being analyzed using NMR is to compare them with the theoretical shifts that were calculated using the Gaussian 94 and Gaussian 98 programs. The theoretical shifts were calculated at two different temperatures: ambient and at 148.6 Celsius. Each alcohol will be analyzed in gas phase using TMS as a reference solvent. In an ethanol spectra TMS will be located at 0 parts per million (ppm) on the NMR spectra, the CH2 will be located 3.687ppm, the OH group will be located 2.61ppm, and the CH3 will be located at 1.226 ppm.

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