Fig. 4: 2D cuts of the resonance and bound state wavefunctions of the reaction F + NH3 → HF + NH2.
From: Probing the activated complex of the F + NH3 reaction via a dipole-bound state
The labels correspond to the observed peaks in Figs. 2 and 3. Wavefunctions are superimposed on the neutral PES contour plotted with respect to the center-of-mass distance between NH2 and HF (R) and H-F bond length (r1), as defined in Supplementary Fig. 1. The purple contours in panel 0a represent the projection of anionic ground-state wave function onto the neutral PES. Peaks 0a–0j are related to the vibrational states with vHF = 0, while peaks 1a–1f for vHF = 1.
