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N rotational barriers in a push-pull ethylene. In the course of the experiment students will synthesize an organic compound, acquire variable temperature 1D and 2D NMR spectra, and use computational quantum chemistry to gain a deeper understanding of the unique electronic features of the molecule. Low temperature 2D EXchange SpectroscopY (EXSY) is used to quantitate the rotational barriers in a series of solvents. The quantum mechanical calculations provide a means to compare the properties of the push-pull ethylene with a similar non-push-pull system. Analysis of the experimental and theoretical results leads to a nearly complete picture of how substituent effects can influence bond lengths, rotational barriers, and the electronic distribution in these ethylenes.
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