Table 3 Summary of ligand field calculations.
Origin in Oh | d–d transition (nm) | ||
|---|---|---|---|
Observed | Calculated | ||
MIM-1 | \({}^{4}{T}_{1g}\to {}{}^{2}{T}_{1g}(G)\) | 463 | 469 |
\({}^{4}{T}_{1g}\to {}{}^{4}{T}_{1g}(P)\) | 490 | 487 | |
\({}^{4}{T}_{1g}\to {}{}^{4}{T}_{1g}(P)\) | 507 | 503 | |
\({}^{4}{T}_{1g}\to {}{}^{4}{T}_{1g}(P)\) | 520 | 512 | |
\({}^{4}{T}_{1g}\to {}{}^{4}{A}_{2g}\) | 565 | 559 | |
SAM-1 | \({}^{4}{T}_{1g}\to {}{}^{2}{T}_{1g}(G)\) | 470 | 465 |
\({}^{4}{T}_{1g}\to {}{}^{4}{T}_{1g}(P)\) | 490 | 490 | |
\({}^{4}{T}_{1g}\to {}{}^{4}{T}_{1g}(P)\) | 505 | 506 | |
\({}^{4}{T}_{1g}\to {}{}^{4}{T}_{1g}(P)\) | 517 | 518 | |
\({}^{4}{T}_{1g}\to {}{}^{4}{A}_{2g}\) | 567 | 566 | |