Research Article
Transition Metal Complexes of Mixed Bioligands: Synthesis, Characterization, DFT Modeling, and Applications
Table 4
Electronic spectral data, λmax bands, corresponding frequencies, and assignments of all ternary metal complexes.
| | Complex | B (free ion) | Dq (cm−1) | λmax (nm) | Wavenumber (cm−1) | Assignments | B (complex) | β | Geometry |
| | (1) | 970 | 1007 | 376 | ν3 = 26596 | | 764 | 0.788 | Tetragonal distortion pseudosquare pyramidal (distorted octahedral) | | 512 | ν2 = 19531 | |
| | (2) | 1080 | 894 | 390 | ν3 = 25641 | 3A2(F) ⟶3T1(P) | 765.23 | 0.709 | Tetragonal distortion pseudosquare pyramidal (distorted octahedral) | | 632 | ν2 = 15822 | 3A2(F) ⟶ 3T2(F) | | 740 | ν1 = 13586 | 3A2(F) ⟶ 3T1(F) |
| | (3) | — | 1107 | 506 | ν2 = 19763 | | 1007 | — | Tetragonal distorted (square planar) | | 636 | ν1 = 15723 | (dx2−y2 ⟶ dz2) | | | | | | | | (dx2−y2 ⟶ dxz) |
| | (4) | — | — | 221 | ν1 = 45249 | Charge transfer | — | — | Tetragonal distortion pseudosquare pyramidal (distorted octahedral) |
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