A DFT and catalytic studies of recyclable chitosan based heterogeneous Cu(II) catalyst for the oxidation of tetralin
作者:Neha Tiwari、Savita Khare
DOI:10.1016/j.inoche.2024.112396
日期:2024.6
diols, epoxides, alcohols, and carbonyl compounds. In this context, a chitosan (Cs) based heterogeneous catalyst, Cu(II)[Cs-L-L]Cl} was developed by the coordination of two different Schiff base ligands, L [Cs-HACP] and L [ANI-HACP] with the chitosan and followed by complexation with CuCl·2HO The prepared catalyst Cu(II)[Cs-L-L]Cl} was characterized by different techniques such as Scanning electron
碳氢化合物的氧化是将石油基原材料转化为有用的化学品(如二醇、环氧化物、醇和羰基化合物)的重要转化。在此背景下,通过两种不同席夫碱配体L [Cs-HACP]和L [ANI-HACP]的配位开发了基于壳聚糖(Cs)的多相催化剂Cu(II)[Cs-LL]Cl}与壳聚糖,然后与 CuCl·2HO 络合制备的催化剂 Cu(II)[Cs-LL]Cl} 通过不同的技术进行表征,如扫描电子显微镜 (SEM)、能量色散 X 射线分析 (EDX)、 Brunauer-Emmett-Teller (BET) 比表面积、粉末 X 射线衍射 (XRD)、热重分析 (TGA)、透射电子显微镜 (TEM)、傅里叶变换红外光谱 (FTIR)、紫外可见近红外 (UV-VIS) -NIR)、X 射线光电子能谱(XPS)和密度泛函理论(DFT)研究。 DFT 研究表明 Cu(II)[Cs-LL]Cl} 具有八面体几何形状,并且根据