Synthesis of a Black Dye with Absorption Capabilities Across the Visible-to-Near-Infrared Region: A MO-Mixing Approach via Heterometal Coordination of Expanded Porphyrinoid.

An expanded metalloporphyrin-based "black dye" Au-Pd oxohexaphyrin () with absorption capabilities across the visible-to-near-infrared (NIR) range was synthesized. This black dye, , possessed efficient light-harvesting and photostable capabilities, which were indicative of superior photothermal (PT) conversion abilities. Encapsulation of with a micellar nanocapsule resulted in a compound that demonstrated intense photoacoustic (PA) properties in the NIR region in water. This finding indicated how metal (d)-ligand (π) molecular orbital interactions in metalloporphyrins could aid in the design of visible-to-NIR light-harvesting black dyes for PT and PA applications.