Wobbling and Hopping: Studying Dynamics of CO2 Adsorbed in Metal鈥揙rganic Frameworks via 17O Solid-State NMR

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• 作者：Wei David Wang ; Bryan E. G. Lucier ; Victor V. Terskikh ; Wei Wang ; Yining Huang
• 刊名：The Journal of Physical Chemistry Letters
• 出版年：2014
• 出版时间：October 2, 2014
• 年：2014
• 卷：5
• 期：19
• 页码：3360-3365
• 全文大小：389K
• ISSN：1948-7185

文摘

Knowledge of adsorbed gas dynamics within microporous solids is crucial for the design of more efficient gas capture materials. We demonstrate that ¹⁷O solid-state NMR (SSNMR) experiments allow one to obtain accurate information on CO₂ dynamics within metal鈥搊rganic frameworks (MOFs), using CPO-27-M (M = Mg, Zn) as examples. Variable-temperature (VT) ¹⁷O SSNMR spectra acquired from 150 to 403 K yield key parameters defining the CO₂ motions. VT ¹⁷O SSNMR spectra of CPO-27-Zn indicate relatively weaker metal鈥搊xygen binding and increased CO₂ dynamics. ¹⁷O 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:

carbon dioxide; gas adsorption; metal鈭抩rganic frameworks; microporous materials; solid-state NMR; ¹⁷O NMR; ¹³C NMR