Figure 5: Guest relocation induced crystal phase transition. | Nature Communications

Figure 5: Guest relocation induced crystal phase transition.

From: Direct visualization of a guest-triggered crystal deformation based on a flexible ultramicroporous framework

Figure 5

(a) Reversible structure transformation between the LT and HT phases. The pyridyl ring of the ligand showing conformation reversion is highlighted in green, and the related DMF molecule is highlighted in space-filling mode (other DMF molecules are omitted for clarity). (b) Structure alteration of the key local fragments (red: LT phase, blue: HT phase). (c) Change of the pore shape around the conformation-reversing ligand. Several related DMF locations are overlapped above the pore surfaces to compare the host–guest compatibility (red: LT phase, blue: HT phase, other colours without hydrogen atoms: several most possible locations derived from molecular dynamic calculation).

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