Fig. 4: Views of crystal structures of pyridine-d₅ or octene-loaded zeolites.

All models were obtained from Rietveld refinements based on in situ NPD data. Three distinct binding sites for pyridine-d₅ and two distinct binding sites for octene have been observed in the sinusoidal channel (Py^I and Oct^I) and straight channel (Py^II, Py^III and Oct^I). a, Py@HZSM-5 (T₁₂O₂₄(C₅D₅N)_0.53). b–d, Detailed views of Py^I (b), Py^II (c) and Py^III (d) in HZSM-5. e, Py@P-HZSM-5 (T₁₂O₂₄(C₅D₅N)_0.56). f–h, Detailed views of Py^I (f), Py^II (g) and Py^III (h) in P-HZSM-5. i, Oct@HZSM-5 (T₁₂O₂₄(C₈H₁₆)_0.423). j, Detailed views of Oct^II in HZSM-5. k, Oct@P-HZSM-5 (T₁₂O₂₄(C₈H₁₆)_0.398). l, Detailed views of Oct^II in P-HZSM-5. Py and Oct molecules and the functional sites involved in the binding are highlighted by the use of an amplified ball-and-stick model (Al/Si, violet; C, gray; O, red; H, white; N, blue). The O(H)···N interactions and O(H)···C=C interactions are highlighted in cyan and orange, respectively. Owing to the uncertainty on locations of protons, all hydrogen bonds in this Article are described as the distance between the N/C and the O_zeolite centers.