Unsymmetric Pentacene- and Pentacenequinone-Fused Porphyrins: Understanding the Effect of Cross- and Linear-Conjugation.

ABSTRACT: Unsymmetric pentacenequinone-fused (cross-conjugated) and pentacene-fused (linear-conjugated) porphyrins were designed and synthesized. The cross-conjugated (AM ₁ -AM ₃ ) and linear-conjugated (AM ₅ -AM ₇ ) porphyrins displayed strikingly different sets of optical and electronic properties, both of which are unusual and nontypical of porphyrins. MCD, DFT, and TDDFT calculations suggest that multiple charge transfer states exist in both π-conjugated systems, which contributes to the complex absorption and MCD spectra of these molecular systems. The general Gouterman's four-orbital model used to explain porphyrin spectroscopy led to contradicting theoretical and experimental data, and is thus

SUBMITTER: Moss A 

PROVIDER: S-EPMC9955193 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature