Journal
CHEMICAL COMMUNICATIONS
Volume 51, Issue 59, Pages 11780-11782Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5cc04249f
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Funding
- National Science Foundation [DMR-1452612]
- Sloan Foundation
- Research Corporation for Science Advancement
- 3M
- NSF [1122374]
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We present a method for approximating thermodynamic parameters Delta G(P,T)(o), Delta H, and Delta S for the cation exchange process in metal-organic frameworks, as exemplified by Ni2+ exchange into Zn4O(1,4-benzenedicarboxylate)(3) (MOF-5) and Co2+ exchange into MOF-5 and Zn5Cl4(bis(1H-1,2,3-triazolo-[4,5-b],[4',5'-i])dibenzo-[1,4]-dioxin)(3) (MFU-4l). For these examples, we find that the cation exchange process is endergonic and that parameters such as solvent and cation identity impact the thermodynamics.
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