From (Sub)Porphyrins to (Sub)Phthalocyanines: Aromaticity Signatures in the UV-Vis Absorption Spectra.

ABSTRACT: The development of novel synthetic methods has greatly expanded the toolbox available to chemists for engineering porphyrin and phthalocyanine derivatives with precise electronic and optical properties. In this study, we focus on the UV-vis absorption characteristics of substituted phthalocyanines and their contracted analogs, subphthalocyanines, which feature nonplanar, bowl-shaped geometries. These macrocycles, which are central to numerous applications in materials science and catalysis, possess extensive π-conjugated systems that drive their unique electronic properties. We explore how the change from a metalloid (B) to a metal (Zn) and the resulting coordination environments influence the aromaticity and, consequently, the spectroscopic features of these systems. A combined computatio

SUBMITTER: Escayola S 

PROVIDER: S-EPMC11465665 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature