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. Author manuscript; available in PMC: 2022 Aug 13.
Published in final edited form as: J Am Chem Soc. 2021 Jan 4;143(2):817–829. doi: 10.1021/jacs.0c09839

Figure 3.

Figure 3.

Solid-state molecular structure for (a) (TrHBOX)Ni(κ2-N4Ad2) (5) and (c) (TrHBOX)Ni(NAd) (6) with thermal ellipsoids at 50% probability level. Color scheme: Ni, pink; N, blue; C, gray; O, red. H atoms (except for the ones on chiral centers and meso carbon) omitted for clarity. (b) Frozen solution EPR spectrum of (TrHBOX)Ni(κ2-N4Ad2) (5) collected at 77 K in toluene (Red). Blue line represents a fit of the data using the program EasySpin.55 Fitting parameters: S = ½, g1 = 2.33, g2 = 2.17, g3 = 2.01. (d) Frozen solution EPR spectrum of (TrHBOX)Ni(NAd) (6) collected at 77 K in toluene (Red). Blue line represents a fit of the data using the program EasySpin.55 Fitting parameters: S = ½, g1 = 2.19, g2 = 2.06, g3 = 1.93 with hyperfine splitting constant, A = 20.9 G (14N, I = 1).