Role of non-covalent interactions in the supramolecular architectures of Co(II), Cu(II), Zn(II), and Cd (II) based complexes with heterofunctional ligand (2-amino, 5-nitrobenzoic acid): Comparative experimental and Hirshfeld surface calculations
{"title":"Role of non-covalent interactions in the supramolecular architectures of Co(II), Cu(II), Zn(II), and Cd (II) based complexes with heterofunctional ligand (2-amino, 5-nitrobenzoic acid): Comparative experimental and Hirshfeld surface calculations","authors":"Amanpreet Kaur Jassal","doi":"10.1016/j.ica.2024.122406","DOIUrl":null,"url":null,"abstract":"<div><div>Four novel monomeric metal complexes based on heterofunctional ligand (2-amino, 5-nitro benzoic acid (<strong>L1H</strong>)), namely <strong>{[Co(L1)<sub>2</sub>.(H<sub>2</sub>O)<sub>4</sub>].4H<sub>2</sub>O} (I), [Cu(L1)<sub>2</sub>.(H<sub>2</sub>O)<sub>2</sub>] (II), [Zn(L1)<sub>2</sub>.(H<sub>2</sub>O)<sub>2</sub>] (III),</strong> and <strong>[Cd(L1)<sub>2</sub>.(H<sub>2</sub>O)<sub>2</sub>] (IV),</strong> have been synthesized under hydrothermal conditions. The crystal structures of monomeric complexes have been determined by single-crystal X-ray diffraction analysis and further characterized by elemental analyses, Infrared (IR) spectra, and thermogravimetric analysis (TGA). Among all these complexes, hydrogen bonding is the most important part in crystal structure explanation, along with the coordination mode of binding. All these complexes are stabilized collectively by covalent, and intermolecular hydrogen bonding interactions. The results demonstrated that the coordinated and lattice water molecules are useful for the stabilization of crystal structure. Focusing on this organic ligand (<strong>L1H</strong>), which has carboxylate, nitro, and amino functional groups that are exclusively able to form dative bonds as well as H-bonds in such a way that the hydrogen-bonding arrays can control 1D, 2D, and 3D structures. The Hirshfeld surface calculations revealed that the closest contacts of the complexes are dominated by H···H, H···O, N···H, C<img>H···π and π···π (C<img>C) interactions. The complexation of <strong>L1H</strong> with transition metals leads to the decrease of O···H, C<img>H···π, and π···π interactions while increasing H<img>H, and C<img>O contacts.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"574 ","pages":"Article 122406"},"PeriodicalIF":2.7000,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganica Chimica Acta","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0020169324004973","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
引用次数: 0
Abstract
Four novel monomeric metal complexes based on heterofunctional ligand (2-amino, 5-nitro benzoic acid (L1H)), namely {[Co(L1)2.(H2O)4].4H2O} (I), [Cu(L1)2.(H2O)2] (II), [Zn(L1)2.(H2O)2] (III), and [Cd(L1)2.(H2O)2] (IV), have been synthesized under hydrothermal conditions. The crystal structures of monomeric complexes have been determined by single-crystal X-ray diffraction analysis and further characterized by elemental analyses, Infrared (IR) spectra, and thermogravimetric analysis (TGA). Among all these complexes, hydrogen bonding is the most important part in crystal structure explanation, along with the coordination mode of binding. All these complexes are stabilized collectively by covalent, and intermolecular hydrogen bonding interactions. The results demonstrated that the coordinated and lattice water molecules are useful for the stabilization of crystal structure. Focusing on this organic ligand (L1H), which has carboxylate, nitro, and amino functional groups that are exclusively able to form dative bonds as well as H-bonds in such a way that the hydrogen-bonding arrays can control 1D, 2D, and 3D structures. The Hirshfeld surface calculations revealed that the closest contacts of the complexes are dominated by H···H, H···O, N···H, CH···π and π···π (CC) interactions. The complexation of L1H with transition metals leads to the decrease of O···H, CH···π, and π···π interactions while increasing HH, and CO contacts.
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.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
