Fig. 5: Atomic motions and intermolecular interaction energy. | Nature Communications

Fig. 5: Atomic motions and intermolecular interaction energy.

From: Direct observation of photoinduced sequential spin transition in a halogen-bonded hybrid system by complementary ultrafast optical and electron probes

Fig. 5: Atomic motions and intermolecular interaction energy.The alternative text for this image may have been generated using AI.

a Schematic ultrafast atomic motions of 1, presented by two structural dynamics groups, Fe-ligand expansion in the molecules (pSCO) and slipping displacement of the [Ni(dmit)2]− anions in the direction of the molecular long axis (pdmit). b Temporal evolution of the Fe-ligand distance (average bond distance of Fe-N and Fe-O coordination bonds) in short- and long-time-delay (open circles). c Temporal evolution of the displacement of the [Ni(dmit)2]− anions (distance between two paired [Ni(dmit)2]− anions along the molecular long axis, open circles) and intradimer (between paired [Ni(dmit)2]− anions) interaction energy (open rectangles) in short- and long-time-delay. d Temporal evolution of I⋯S Halogen bond distance (open circles) and halogen bond interaction energy (open rectangles) in short- and long-time-delay. b–d solid lines and horizontal dashed lines show the fitting curves using multi-exponential decay functions (Supplementary Equation 1) and values at HT (175 K) and LT (105 K) phases, respectively. Source data are provided as a Source Data file.

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