Anthraquinone and its derivatives as sustainable materials for electrochemical applications - a joint experimental and theoretical investigation of the redox potential in solution.

ABSTRACT: Anthraquinone (AQ) has long been identified as a highly promising lead structure for various applications in organic electronics. Considering the enormous number of possible substitution patterns of the AQ lead structure, with only a minority being commercially available, a systematic experimental screening of the associated electrochemical potentials represents a highly challenging and time consuming task, which can be greatly enhanced via suitable virtual pre-screening techniques. In this work the calculated electrochemical reduction potentials of pristine AQ and 12 hydroxy- or/and amino-substituted AQ derivatives in N,N-dimethylformamide have been correlated against newly measured experimental data. In addition to the calculations performed using density functional

SUBMITTER: Gallmetzer JM 

PROVIDER: S-EPMC9258729 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature