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. Author manuscript; available in PMC: 2021 Apr 6.
Published in final edited form as: Inorg Chem. 2020 Mar 20;59(7):5218–5230. doi: 10.1021/acs.inorgchem.0c00523

Table 2.

Energies of Each Magnetic/Inter-Kramers-Doublet Transitiona

transition energy (cm−1) by the “hotband” method30 energy (cm−1) from the current workb
±15/2 → ±13/2 (ν1) 110 104 (far-IR/INS)
±15/2 → ±11/2 (ν2) 190 approximately 180(5) (far-IR)
±15/2 → ±9/2 (ν3) 245 245 (far-IR)
a

The ±15/2 → ±7/2 transition (ν4), observed at 327 cm−1 by the indirect “hot-band” optical absorption technique, appears to be at 285 cm−1 in the FIRMS spectra (Figure S7).

b

The errors for the energies are estimated to be ca. 1 cm−1 (Supporting Information).