A series of Zn (II) complexes with nitrogen Schiff base ligands (NSB) has been synthesized from pyrrole carboxaldehyde. The prepared complexes were fully characterized. Single crystal X-ray diffraction analysis showed various coordination modes, as monomers or as helical dimers according to the number of available nitrogen atoms surrounding the zinc cation. The complex structure optimizations were carried out using the density functional theory (DFT) with ADF program and the dimerization energies and the temperature effect were examined. The Zn complexes were used as Lewis acids (LA) combined with tetrabutylammonium halides (N₄BuX) as Lewis bases (LB), for the catalytic valorization of CO₂ into cyclic carbonates. A new momomeric Zn-NSB was chosen to study the influence of different reaction parameters (temperature, CO₂ pressure, LA/LB molar ratio, catalyst amount). Thus, optimized conditions afforded the solvent-free selective formation of styrene cyclic carbonate in good yields (up to 98 %) and allowed the reuse of this Zn-NSB/N₄BuX catalytic system without any loss of activity.

从吡咯甲醛中合成了一系列具有氮席夫碱配体（NSB）的Zn（II）配合物。所制备的复合物被充分表征。单晶X射线衍射分析显示出各种配位模式，根据围绕锌阳离子的可用氮原子数，其为单体或螺旋二聚体。使用密度泛函理论（DFT）和ADF程序进行了复杂的结构优化，并研究了二聚能和温度效应。Zn络合物用作路易斯酸（LA），与四丁基卤化铵（N ₄ BuX）结合用作Lewis碱（LB），用于CO ₂的催化增值变成环状碳酸盐。选择一种新的单体Zn-NSB来研究不同反应参数（温度，CO ₂压力，LA / LB摩尔比，催化剂用量）的影响。因此，优化的条件以良好的产率（高达98％）提供了无溶剂的苯乙烯环状碳酸酯的选择性形成，并允许重新使用该Zn-NSB / N ₄ BuX催化体系而没有任何活性损失。