10.1021/cm400858d.s014
Carl K. Brozek
Carl K.
Brozek
Anthony
F. Cozzolino
Anthony
F.
Cozzolino
Simon
J. Teat
Simon
J.
Teat
Yu-Sheng Chen
Yu-Sheng
Chen
Mircea Dincă
Mircea
Dincă
Quantification
of Site-Specific Cation Exchange in
Metal–Organic Frameworks Using Multi-Wavelength Anomalous X‑ray
Dispersion
American Chemical Society
2016
cation exchange
Mn
heterometallic MOFs
K edges
dispersion
metal sites
dispersive differences
Fe
cation occupation
Zn
extent
method
data
BTT
Cu
2016-02-19 01:17:06
Dataset
https://acs.figshare.com/articles/dataset/Quantification_of_Site_Specific_Cation_Exchange_in_Metal_Organic_Frameworks_Using_Multi_Wavelength_Anomalous_X_ray_Dispersion/2387860
We employed multiwavelength anomalous
X-ray dispersion to determine
the relative cation occupation at two crystallographically distinct
metal sites in Fe<sup>2+</sup>-, Cu<sup>2+</sup>-, and Zn<sup>2+</sup>-exchanged versions of the microporous metal–organic framework
(MOF) known as MnMnBTT (BTT = 1,3,5-benzenetristetrazolate). By exploiting
the dispersive differences between Mn, Fe, Cu, and Zn, the extent
and location of cation exchange were determined from single crystal
X-ray diffraction data sets collected near the K edges of Mn<sup>2+</sup> and of the substituting metal, and at a wavelength remote from either
edge as a reference. Comparing the anomalous dispersion between these
measurements indicated that the extent of Mn<sup>2+</sup> replacement
depends on the identity of the substituting metal. We contrasted two
unique methods to analyze this data with a conventional approach and
evaluated their limitations with emphasis on the general application
of this method to other heterometallic MOFs, where site-specific metal
identification is fundamental to tuning catalytic and physical properties.