Facile synthesis of an A3B-type phthalocyanine with a peripheral thiocatecholate binding group and its coordination to Ni(dppe): spectroscopy and theory

Abstract

A single thiocatecholate group has been combined with a phthalocyanine and used to coordinate a [Ni(dppe)]²⁺ fragment to give the unprecedented title complex [(dppe)Ni(S₂PcH₂)]. UV-Vis spectroscopy shows new strong transitions in the Q-band, which TDDFT calcualtions predict result from internal charge transfer processes. Insights are gained with respect to designing future photocatalytic systems.