FIGURE 2.

Two sample spectra and structures are shown for slightly different hydrogen-bonding environments calculated using the Skinner 6P site-energy model. Note that the fine structure disappears and the diagonal elongation of the 2DIR peaks arises from the static average over the equilibrium distribution of hydrogen-bonding environments characterized by N, the number of internal hydrogen bonds, and R_O–N, the oxygen-nitrogen hydrogen bond distance. Twenty-one evenly spaced contours are plotted from ±50% of the maximum for each spectrum.