DFT calculations aimed at investigating the diamagnetism of dialkyl/diaryl ruthenium-(IV) porphyrins revealed a unique cisoid tilting of the axial alkyl/aryl groups, which maximizes σ-bonding interactions between the metal and the alkyl/aryl ligands via two specific orbital interactions. Only one such stabilizing orbital interaction is possible for upright and transoid orientations of the axial alkyl/aryl groups.
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