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This is a Quantitative Study study.

Structure over States: Planarity, Not Energy, Dictates Photoactivation in Ru(II) PACT Agents

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Synthesis of Ru(II) complexes reveals planarity impacts photosubstitution in aqueous solutions, suggesting new design pathways.

Planarity, not energy levels, dictates photosubstitution efficiency in Ru(II) complexes, highlighting a novel factor in photoactivation.
Photosubstitution quantum yields varied significantly among complexes despite similar absorption properties; novel calculations revealed deep insights.
A unique molecular dynamics protocol using GFN-xTB method successfully simulated ligand exchange processes on the triplet hypersurface.
Results provide a new understanding of Ru(II)-based reactions, calling for improved design of next-generation light-responsive therapeutic agents.

Hakkennes et al. (2025) studied this question.

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