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. 2025 Jul 30;147(32):29444–29456. doi: 10.1021/jacs.5c09616

1. Ligand Field Parameters, Racah Parameters, and Octahedral Distortion Parameters in CoIII and CrIII Complexes along with the Lifetimes of Their Lowest Electronically Excited States ,,,,,

Complex 10 Dq/cm–1 C/cm–1 τ(3T1)/ns Σ/° Complex 10 Dq/cm–1 τ(2E)/μs Σ/°
[Co(phtpy)2]3+ 26,650 4050 2.6 65 [Cr(tpy)2]3+ 20,390 30 104
[Co(bpy)3]3+ 25,900 3730 5.0 47 [Cr(bpy)3]3+ 23,300 63 67
[Co(dqp)2]3+ 25,400 3700 8.3 13 [Cr(dqp)2]3+ 24,900 1200 29
a

10 Dq and Racah parameter C values for [Co­(phtpy)2]3+ and [Co­(dqp)2]3+ were approximated using the Tanabe–Sugano formalism: ΔE(3T11A1) = 10 Dq – 3C, ΔE (1T11A1) = 10 Dq – C (experimental values were extracted from the data in Figure ).

b

Acetonitrile solution, room temperature.

c

Aqueous solution, room temperature.