Figure 2 (IMAGE)
Caption
Structural changes of PCN–224(Fe) visualized using the change of the electron density and temporal behaviors of the structural changes. Iosc represents the oscillating structural change, Itr represents the transiently generated structural intermediate, and Ihot represents the thermally hot structural intermediate. The top panel of the structural change depicts the iron porphyrin and zirconium clusters, while the middle and bottom panels provide an enlarged view of the zirconium atoms within the zirconium cluster and an iron atom within an iron porphyrin, respectively. A red color indicates a loss of electron density, signifying when an atom moves away from its previous position. Conversely, a blue color signifies a gain in electron density as the atom moves to that position. Iosc oscillates with a period of 5.55 picoseconds (10−12 seconds), damping at 2.68 picoseconds, while Itr emerges instantaneously after irradiation (within 200 femtosecond) and dissipates with a time constant of 47.1 picoseconds. Ihot is generated with time constants of 1.143 picoseconds and 11.32 picoseconds and persists for up to 3 nanoseconds (10-9 second).
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Institute for Basic Science
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