Fig. 4: The structural change of the predissociating CH3ND2 near the transition state.
From: Tracking the structural change of the predissociating molecule near the transition state
The molecular structures (in terms of the N-D bond length extension) in the vicinity of the transition state result from the strong vibronic coupling of the internal rotor mode into the reaction coordinate. The two-dimensional adiabatic potential energy surface of the S1 CH3ND2 were obtained by the CASPT2 calculations. Source data are provided as a Source Data file.
