“…In general, literature reports employ Tauc analysis to analyze the optical absorption spectra of MOFs, giving rise to optical gaps that vary by more than 1 eV, likely because of discrepancies between linear fits. For example, reported “band gaps” (used interchangeably with optical gap) of ZIF-8 (Zn-(imidazolate) 2 ) vary between 3.87 and 5.45 eV, − UiO-66 (Zr 6 O 4 (OH) 4 (terephthalate) 12 ) vary between 2.50 and 4.07 eV, − and MIL-125 (Ti 8 O 8 (OH) 4 (terephthalate) 6 ) range from 3.1 to 4.62 eV. − Furthermore, calculated electronic band structures indicate most MOFs possess localized bonding, with discrete, nonoverlapping states . Given their molecular, rather than band-type, nature as well as the empirical observation that experimental spectra bear well-resolved peaks, suggests that MOFs should be well-suited to Gaussian peak-fitting, not Tauc analysis , to obtain optical gaps.…”