Role of Hydrogen Bonding on Transport of Coadsorbed Gases in Metal-Organic Frameworks Materials

Kui Tan, Stephanie Jensen, Sebastian Zuluaga, Eric K. Chapman, Hao Wang, Rezwanur Rahman, Jérémy Cure, Tae Hyeon Kim, Jing Li, Timo Thonhauser, Yves J. Chabal

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Abstract

Coadsorption of multicomponents in metal-organic framework (MOF) materials can lead to a number of cooperative effects, such as modification of adsorption sites or during transport. In this work, we explore the incorporation of NH3 and H2O into MOFs preloaded with small molecules such as CO, CO2, and SO2. We find that NH3 (or H2O) first displaces a certain amount of preadsorbed molecules in the outer portion of MOF crystallites, and then substantially hinders diffusion. Combining in situ spectroscopy with first-principles calculations, we show that hydrogen bonding between NH3 (or H2O) is responsible for an increase of a factor of 7 and 8 in diffusion barrier of CO and CO2 through the MOF channels. Understanding such cooperative effects is important for designing new strategies to enhance adsorption in nanoporous materials.

Original languageEnglish
Pages (from-to)856-859
Number of pages4
JournalJournal of the American Chemical Society
Volume140
Issue number3
DOIs
Publication statusPublished - Jan 24 2018

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ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

Cite this

Tan, K., Jensen, S., Zuluaga, S., Chapman, E. K., Wang, H., Rahman, R., Cure, J., Kim, T. H., Li, J., Thonhauser, T., & Chabal, Y. J. (2018). Role of Hydrogen Bonding on Transport of Coadsorbed Gases in Metal-Organic Frameworks Materials. Journal of the American Chemical Society, 140(3), 856-859. https://doi.org/10.1021/jacs.7b09943