Additionally, the narrowness of the observed peak indicates that the full quadrupolar lineshape is not being expressed. A quadrupolar lineshape fitting for the C=O peak returns a C Q = 2.7 MHz, much lower than the static DFT predictions (Fig. ). Similarly, although a quadrupolar lineshape is expressed for the hydroxyl peak, the fitted C Q = 5.5 MHz is lower than the DFT predictions of