Figure 7
Temperature-dependent positions of H atoms interacting with the syn lone pairs of the L-Nva carboxylate group. From their starting positions at 100 K (blue), both H1B and H1A move towards more central positions as the temperature increases through 220 K (green) to 270 K (orange). After transition 2 in Fig. 1, the distinction between molecule A and B (Fig. 5) has disappeared, giving a single type of three-centered interaction (dashed lines) at 293 K (red). |