%0 Generic
%A Brozek, Carl K.
%A Cozzolino, Anthony
F.
%A Teat, Simon
J.
%A Chen, Yu-Sheng
%A Dincă, Mircea
%D 2016
%T Quantification
of Site-Specific Cation Exchange in
Metal–Organic Frameworks Using Multi-Wavelength Anomalous X‑ray
Dispersion
%U https://acs.figshare.com/articles/dataset/Quantification_of_Site_Specific_Cation_Exchange_in_Metal_Organic_Frameworks_Using_Multi_Wavelength_Anomalous_X_ray_Dispersion/2387860
%R 10.1021/cm400858d.s014
%2 https://acs.figshare.com/ndownloader/files/4027552
%K cation exchange
%K Mn
%K heterometallic MOFs
%K K edges
%K dispersion
%K metal sites
%K dispersive differences
%K Fe
%K cation occupation
%K Zn
%K extent
%K method
%K data
%K BTT
%K Cu
%X We employed multiwavelength anomalous
X-ray dispersion to determine
the relative cation occupation at two crystallographically distinct
metal sites in Fe2+-, Cu2+-, and Zn2+-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 Mn2+ 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 Mn2+ 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.
%I ACS Publications