Optimizing synthesis and catalytic performance of novel β-keto-enamine complexes of Ni (II) using BBD design and PSO-ANN

IF 2.7 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Inorganica Chimica Acta Pub Date : 2024-10-24 DOI:10.1016/j.ica.2024.122412
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Abstract

This study focuses on the synthesis of novel nickel (II) complexes with chelated β-keto-enamine ligands and evaluates their catalytic performance in imine preparation. The main objectives are to optimise the synthesis of (NO) NiCl2 complexes, characterise them by UV–vis and FT-IR spectroscopy and investigate their electrochemical properties. A Box-Behnken design was used to refine the synthesis process. Spectroscopic analyses elucidated the complexation behaviour, while cyclic voltammetry revealed reversible monoelectronic processes. The catalytic activity of the complexes was rigorously tested, with statistical analysis tools, including ANOVA and PSO-based artificial neural networks, aiding data interpretation and yield prediction. Optimal conditions were identified, revealing promising catalytic properties. The integration of predictive modelling has consequently improved yields and provided valuable insights into the catalytic applications of these nickel (II) complexes.

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利用 BBD 设计和 PSO-ANN 优化新型 Ni (II) β-酮烯胺配合物的合成和催化性能
本研究的重点是合成具有螯合β-酮烯胺配体的新型镍(II)配合物,并评估它们在亚胺制备过程中的催化性能。主要目的是优化 (NᴧO) NiCl2 复合物的合成,通过紫外-可见光谱和傅立叶变换红外光谱对其进行表征,并研究其电化学特性。采用盒-贝肯(Box-Behnken)设计来完善合成过程。光谱分析阐明了络合行为,而循环伏安法则揭示了可逆的单电子过程。利用统计分析工具,包括方差分析和基于 PSO 的人工神经网络,对配合物的催化活性进行了严格测试,以帮助解释数据和预测产量。确定了最佳条件,显示出良好的催化特性。预测建模的整合提高了产率,并为这些镍 (II) 复合物的催化应用提供了宝贵的见解。
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来源期刊
Inorganica Chimica Acta
Inorganica Chimica Acta 化学-无机化学与核化学
CiteScore
6.00
自引率
3.60%
发文量
440
审稿时长
35 days
期刊介绍: Inorganica Chimica Acta is an established international forum for all aspects of advanced Inorganic Chemistry. Original papers of high scientific level and interest are published in the form of Articles and Reviews. Topics covered include: • chemistry of the main group elements and the d- and f-block metals, including the synthesis, characterization and reactivity of coordination, organometallic, biomimetic, supramolecular coordination compounds, including associated computational studies; • synthesis, physico-chemical properties, applications of molecule-based nano-scaled clusters and nanomaterials designed using the principles of coordination chemistry, as well as coordination polymers (CPs), metal-organic frameworks (MOFs), metal-organic polyhedra (MPOs); • reaction mechanisms and physico-chemical investigations computational studies of metalloenzymes and their models; • applications of inorganic compounds, metallodrugs and molecule-based materials. Papers composed primarily of structural reports will typically not be considered for publication.
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