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. Author manuscript; available in PMC: 2018 Aug 16.
Published in final edited form as: Chem Commun (Camb). 2017 May 4;53(37):5227–5230. doi: 10.1039/c7cc01620d

Table 1.

IR frequencies for all reference complexes and MOFs.

Material IR frequencies (νCO in cm-1)
UiO-66-1 2073, 2038, 1997
[Fe2(dcbdt)(CO)6 (1) 2082, 2046, 2007
[Fe2(bdt)(CO)6] 2078, 2042, 2002
UiO-66-[Fe2(dcbdt)(CO)4(PMe3)2] 1980, 1942, 1911 1)
difference spectrum (see Fig S4a) 1985, 1946, 1916
[FeFe](bdt)(CO)4(PMe3)2 1991, 1948, 1924
[Fe](bdt)(CO)2(PMe3)2 2009, 1954
UiO-66-[Fe2(dcbdt)(CO)4(PEt3)2] 1983, 1945, 1918 1)
difference spectrum (see Fig S4b) 1982, 1944, 1917
[FeFe](bdt)(CO)4(PEt3)2 1992, 1947, 1929
[FeFe](bdt)(CO)4(PPh3)2 2001, 1957, 1941
1

Given are the prominent absorptions associated with the ligand-substituted [FeFe](dcbdt)(CO)4(PX3)2 in the UiO-66. All FT-IR spectra were recorded in CH3CN solution/suspension.