Exceptionally high acetylene uptake in a microporous metal-organic framework with open metal sites

Shengchang Xiang; Wei Zhou; Jose M Gallegos; Yun Liu; Banglin Chen

doi:10.1021/ja904782h

Exceptionally high acetylene uptake in a microporous metal-organic framework with open metal sites

J Am Chem Soc. 2009 Sep 2;131(34):12415-9. doi: 10.1021/ja904782h.

Authors

Shengchang Xiang¹, Wei Zhou, Jose M Gallegos, Yun Liu, Banglin Chen

Affiliation

¹ Department of Chemistry, University of Texas at San Antonio, San Antonio, Texas 78249-0698, USA.

PMID: 19705919
DOI: 10.1021/ja904782h

Abstract

Six prototype microporous metal-organic frameworks (MOFs) HKUST-1, MOF-505, MOF-508, MIL-53, MOF-5, and ZIF-8 with variable structures and porosities were examined for their acetylene storage, highlighting HKUST-1 as the highest acetylene storage material ever reported with an uptake of 201 cm(3)/g at 295 K and 1 atm. To locate the acetylene binding sites within HKUST-1, neutron powder diffraction studies on acetylene loaded HKUST-1 were carried out and have conclusively established the significant contribution of open Cu(2+) sites for acetylene storage by their strong preferred interactions with acetylene molecules. The binding properties of acetylene gas at different sites were further investigated by first-principles calculations.