Chemical Structure from Scientific Research

Molecular orbital scheme showing the highest occupied orbitals ( t 2g orbitals (red) and ligand-based orbitals (blue)) and the lowest unoccupied orbitals ( π * orbitals of the ligand moiety (green)). The transition densities of the dominant LMCT (left) and MLCT (right) transitions are also depicted (hole, purple; electron, orange).

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