We report the K₂S₂O₈ catalyzed oxidative coupling of 1,2-diaminobenzenes and primary alcohols for the synthesis of benzimidazoles under metal-free conditions by utilizing oxygen from air as terminal oxidant and water in reaction medium. Also, the challenging aliphatic alcohols showed good performance in synthesis of benzimidazoles. We also carried out a detailed exploration of the mechanism. The metal-free conditions, commercially available oxidant and good functional-group tolerance are the advantages of the present strategy. Further, we have studied the light emitting properties of benzimidazoles. The absorption and emission spectra's of the compounds 5a and 6m were experimentally and computationally analysed. Also, HOMO/LUMO distributions of compound 5a and 6m were elucidated theoretically.

我们报告 K ₂ S ₂ O ₈利用空气中的氧气作为末端氧化剂和反应介质中的水，在无金属条件下催化 1,2-二氨基苯和伯醇的氧化偶联合成苯并咪唑。此外，具有挑战性的脂肪醇在苯并咪唑的合成中表现出良好的性能。我们还对机制进行了详细的探索。无金属条件、市售氧化剂和良好的官能团耐受性是本策略的优点。此外，我们还研究了苯并咪唑的发光特性。对化合物 5a 和 6m 的吸收和发射光谱进行了实验和计算分析。此外，还从理论上阐明了化合物5a和6m的HOMO/LUMO分布。