title: Thermodynamic parameters of cation exchange in MOF-5 and MFU-4l.
abstract: We present a method for approximating thermodynamic parameters ΔG(P,T)°, ΔH, and ΔS for the cation exchange process in metal-organic frameworks, as exemplified by Ni(2+) exchange into Zn4O(1,4-benzenedicarboxylate)3 (MOF-5) and Co(2+) 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.
authors.affiliation: Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139-4307, USA. mdinca@mit.edu.
authors.forename: Carl K
authors.initials: CK
authors.lastname: Brozek
authors.forename: Mircea
authors.initials: M
authors.lastname: Dincă