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. 2022 May 12;61(20):8022–8035. doi: 10.1021/acs.inorgchem.2c00766

Table 7. Axial/Rhombic Shifts [gmax (=gz), AmaxCu (=AzCu) and Δg, ΔACu] for all Models.

  model gmax Δg |AmaxCu| ΔACu
A: CuN3O2 A1 2.257 0.225 370 269
B: CuN3O B1 2.254 0.201 446 375
  B2 2.243 0.184 569 546
C: CuN2O2 C1 2.329 0.288 309 293
  C2-i 2.243 0.179 597 582
  C2-ii 2.246 0.189 604 599
  C3-i 2.248 0.201 436 351
  C3-ii 2.258 0.213 393 303
PlAA10          
pH 6.5 rhombic 2.262 0.237 355 265
pH 8.5 axial 2.230 0.188 560 550