CO2 Dynamics in a Metal-Organic Framework with Open Metal Sites

被引：284

作者：

Kong, Xueqian ^{[1
,3
]}

Scott, Eric ^{[2
]}

Ding, Wen ^{[1
]}

Mason, Jarad A. ^{[2
]}

Long, Jeffrey R. ^{[2
,4
]}

Reimer, Jeffrey A. ^{[1
,3
]}

机构：

[1] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA

[2] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA

[3] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA

[4] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2012年 / 134卷 / 35期

关键词：

CARBON-DIOXIDE CAPTURE; COORDINATION SITES; C-13; NMR; ADSORPTION; SEPARATIONS; TEMPERATURE; DIFFRACTION;

D O I：

10.1021/ja306822p

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Metal-organic frameworks (MOFs) with open metal sites are promising candidates for CO2 capture from dry flue gas. We applied in situ C-13 NMR spectroscopy to investigate CO2 adsorbed in Mg-2(dobdc) (H(4)dobdc = 2,5-dihydroxyterephthalic acid; Mg-MOF-74, CPO-27-Mg), a key MOF in which exposed Mg2+ cation sites give rise to exceptional CO2 capture properties. Analysis of the resulting spectra reveals details of the binding and CO2 rotational motion within the material. The dynamics of the motional processes are evaluated via analysis of the NMR line shapes and relaxation times observed between 12 and 400 K. These results form stringent and quantifiable metrics for computer simulations that seek to screen and improve the design of new MOFs for CO2 capture.

引用

页码：14341 / 14344

页数：4

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