Abstract

Two chiral Schiff base ligands 2-((1-hydroxy-3-phenylpropan-2-ylimino)methyl)-6-methoxyphenol (L¹H₂ ) and 2-(4-hydroxy-3-isopropylbut-1-enyl)-6-methoxyphenol (L²H₂ ) have been synthesized by the condensation of l-phenylalaninol/l-valinol and o-vanillin (2-hydroxy-3-methoxy benzaldehyde). A tetranuclear homometallic Cu(II) complex [Cu₄(L¹H)₂(L¹)₂] (ClO₄)₂ (C1) and a hexanuclear heterometallic complex [Cu₄(L²)₄Na₂(DMF)₂(H₂O)] (ClO₄)₂ (C2) have been synthesized with the ligands. Both the complexes possess cubane like Cu₄O₄ core with interesting structural variations and inherit the chirality of their corresponding ligands. The catalytic potential of the complexes has been explored for the oxidative kinetic resolution of racemic benzoin. The electronic, optical and chiroptical properties of the ligands and the complexes have been studied by DFT and TD-DFT calculations.

摘要

两个手性席夫碱配体2-（（1-羟基-3-苯基丙烷-2-ylimino）甲基）-6-甲氧基苯酚（L ¹ H ₂ ）和2-（4-羟基-3-异丙基丁-1-烯基）-通过1-苯基丙氨醇/ 1-缬氨醇和邻香兰素（2-羟基-3-甲氧基苯甲醛）的缩合反应合成了6-甲氧基苯酚（L ² H ₂ ）。四核同金属Cu（II）配合物[Cu ₄（L ¹ H）₂（L ¹）₂ ]（ClO ₄）₂（C1）和六核异金属配合物[Cu 已经用该配体合成了₄（L ²）₄ Na ₂（DMF）₂（H ₂ O）]（ClO ₄）₂（C2）。两种配合物都具有类似有趣的结构变化的古巴样Cu ₄ O ₄核，并继承了其相应配体的手性。为了消旋外消旋安息香的氧化动力学拆分，已经研究了配合物的催化潜力。通过DFT和TD-DFT计算研究了配体和配合物的电子，光学和手性。