Skip to main content
. Author manuscript; available in PMC: 2021 Nov 30.
Published in final edited form as: J Am Chem Soc. 2021 Sep 27;143(39):16007–16029. doi: 10.1021/jacs.1c05436

Figure 12.

Figure 12.

Representation of the ligand donations required to produce a 605 cm−1 NRVS feature in the OC -OH/=O (left), OC -OH/-OH (middle), and bis(μO)-OH (right) subclasses. The direction of donation is symbolized with arrows. In the OC subclasses, the donation required to create a long Fe-OH bond to reproduce the low ν(Fe-OH) 605 cm−1 NRVS feature of Q results in the absence of a ν(Fe-OH) + νas(Fe-O-Fe) symmetric mode that would be assigned to the rR feature at 690 cm−1. In the bis(μO)-OH subclass, the (μ-O)2 core provides strong donation to facilitate a long Fe2-OH bond and thus a ν(Fe2-OH) mode near 605 cm−1, and the Ag breathing mode (ν1 Figure 4) satisfies the 690 cm−1 rR assignment.