Ubiquitous Presence of Intermolecular CH…O Hydrogen Bonds in As-Synthesized Zeolite Materials

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Abstract

CH…O hydrogen bonds (HBs) are identified in all crystals of series of silica zeolites hosting cationic Organic Structure Directing agents. This finding is supported by experimental C-O distances and COSi angles’ distributions, and DFT calculations on representative structures. New insights are reported on the geometry and electrostatics of these HBs.

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License: CC-BY-NC-ND-4.0