Wobbling and Hopping: Studying Dynamics of CO2 Adsorbed in Metal-Organic Frameworks via (17)O Solid-State NMR

Wei David Wang; Bryan E G Lucier; Victor V Terskikh; Wei Wang; Yining Huang

doi:10.1021/jz501729d

Wobbling and Hopping: Studying Dynamics of CO2 Adsorbed in Metal-Organic Frameworks via (17)O Solid-State NMR

J Phys Chem Lett. 2014 Oct 2;5(19):3360-5. doi: 10.1021/jz501729d. Epub 2014 Sep 17.

Authors

Wei David Wang^{1

2}, Bryan E G Lucier¹, Victor V Terskikh³, Wei Wang², Yining Huang¹

Affiliations

¹ †Department of Chemistry, The University of Western Ontario, London, Ontario Canada, N6A 5B7.
² ‡State Key Laboratory of Applied Organic Chemistry, Lanzhou University, Lanzhou, Gansu China, 730000.
³ §Department of Chemistry, University of Ottawa, Ottawa, Ontario Canada, K1N 6N5.

PMID: 26278445
DOI: 10.1021/jz501729d

Abstract

Knowledge of adsorbed gas dynamics within microporous solids is crucial for the design of more efficient gas capture materials. We demonstrate that (17)O solid-state NMR (SSNMR) experiments allow one to obtain accurate information on CO2 dynamics within metal-organic frameworks (MOFs), using CPO-27-M (M = Mg, Zn) as examples. Variable-temperature (VT) (17)O SSNMR spectra acquired from 150 to 403 K yield key parameters defining the CO2 motions. VT (17)O SSNMR spectra of CPO-27-Zn indicate relatively weaker metal-oxygen binding and increased CO2 dynamics. (17)O SSNMR is a sensitive probe of CO2 dynamics due to the presence of both the quadrupolar and chemical shielding interactions, and holds potential for the investigation of motions within a variety of microporous materials.

Keywords: 13C NMR; 17O NMR; carbon dioxide; gas adsorption; metal−organic frameworks; microporous materials; solid-state NMR.