Fig. 4: In-situ IR spectra and binding sites for C2H2, CO2, and C2H4 in Cu(bpy)NP. | Nature Communications

Fig. 4: In-situ IR spectra and binding sites for C2H2, CO2, and C2H4 in Cu(bpy)NP.

From: Negative electrostatic potentials in a Hofmann-type metal-organic framework for efficient acetylene separation

Fig. 4

a In-situ IR spectra of gas-loaded Cu(bpy)NP samples; b Charge density difference plots showing the interaction between C2H2; DFT-D calculated binding sites of c C2H2, d CO2, and e C2H4 in Cu(bpy)NP. The distances include the Van der Waals radius of atoms (Color code: C, gray; H, white; N, blue; O, red; Cu, green; Fe, orange).

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