4.5 Article

Consecutive Three-Component Synthesis of Phenothiazine-Based Merocyanines - Bayesian Optimization, Electronic properties, and DSSC Characteristics

期刊

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
卷 2022, 期 29, 页码 -

出版社

WILEY-V C H VERLAG GMBH
DOI: 10.1002/ejoc.202200163

关键词

Cyclic voltammetry; DFT calculations; Heck reaction; Multicomponent reactions; Photovoltaics

资金

  1. Fonds der Chemischen Industrie
  2. Deutsche Forschungsgemeinschaft [Mu 1088/9-1]
  3. Projekt DEAL

向作者/读者索取更多资源

A consecutive three-component Heck-Knoevenagel synthesis of phenothiazinyl merocyanines was developed, resulting in the synthesis of nine red orange dyes. The electronic properties of these dyes were investigated, and their performances in dye-sensitized solar cells were promising with relative efficiencies of up to 93% compared to the standard ruthenium dye N3.
A consecutive three-component Heck-Knoevenagel synthesis of phenothiazinyl merocyanines was developed by statistical design of experiments (DoE) and Bayesian optimization furnishing nine red orange dyes starting from heteroaryl halides, acrolein and ethyl cyanoacetate. Besides scrutinizing the electronic properties of these merocyanines by cyclic voltammetry, absorption and emission spectroscopy, and (TD)DFT calculations their saponified carboxylic acids were employed in dye-sensitized solar cell (DSSC) experiments showing promising solar cell performances with relative efficiencies of up to 93% compared to the standard ruthenium dye N3.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.5
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据