Abdul Samad Hamid, Masoud Mirzaei, Maryam Bazargan, Joel T. Mague, Diego M. Gil, Antonio Frontera
{"title":"具有混合配体系统的镍(II)配位配合物的合成和结构表征：探索超分子组装中的π-π堆积和氢键作用","authors":"Abdul Samad Hamid, Masoud Mirzaei, Maryam Bazargan, Joel T. Mague, Diego M. Gil, Antonio Frontera","doi":"10.1007/s13738-024-03034-6","DOIUrl":null,"url":null,"abstract":"<div><p>Two coordination complexes [Ni(Hpydco)<sub>2</sub>(bpy)] (1) and [Ni(pydco)(phen)(H<sub>2</sub>O)<sub>2</sub>]·4.5H<sub>2</sub>O 0.5CH<sub>3</sub>OH (2) have been synthesized using a mixed-ligand system including pyridine-2,5-dicarboxylic acid <i>N</i>-oxide (H<sub>2</sub>pydco) as an <i>O</i>-donor ligand and 2,2'-bipyridine (bpy) or 1,10-phenanthroline (phen) as a chelating <i>N</i>-donor ligand and NiCl<sub>2</sub>.6H<sub>2</sub>O as a source for Ni ions. The crystal structures of 1 and 2 form discrete complexes in which extensive π−π stacking interactions between aromatic rings of the <i>N</i>-donor ligands resulted in the formation of one dimensional (1D) chain-like structures. The chains are connected by hydrogen bonds to expand the structures into 2D-supramolecular networks. Hirshfeld surface analysis and Density Functional Theory<b> (</b>DFT) calculations were included to rationalize the relative strength of the π-stacking assemblies observed in both complexes.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":null,"pages":null},"PeriodicalIF":2.2000,"publicationDate":"2024-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Synthesis and structural characterization of nickel(II) coordination complexes with mixed-ligand systems: exploring π−π stacking and hydrogen bonding in supramolecular assemblies\",\"authors\":\"Abdul Samad Hamid, Masoud Mirzaei, Maryam Bazargan, Joel T. Mague, Diego M. Gil, Antonio Frontera\",\"doi\":\"10.1007/s13738-024-03034-6\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Two coordination complexes [Ni(Hpydco)<sub>2</sub>(bpy)] (1) and [Ni(pydco)(phen)(H<sub>2</sub>O)<sub>2</sub>]·4.5H<sub>2</sub>O 0.5CH<sub>3</sub>OH (2) have been synthesized using a mixed-ligand system including pyridine-2,5-dicarboxylic acid <i>N</i>-oxide (H<sub>2</sub>pydco) as an <i>O</i>-donor ligand and 2,2'-bipyridine (bpy) or 1,10-phenanthroline (phen) as a chelating <i>N</i>-donor ligand and NiCl<sub>2</sub>.6H<sub>2</sub>O as a source for Ni ions. The crystal structures of 1 and 2 form discrete complexes in which extensive π−π stacking interactions between aromatic rings of the <i>N</i>-donor ligands resulted in the formation of one dimensional (1D) chain-like structures. The chains are connected by hydrogen bonds to expand the structures into 2D-supramolecular networks. Hirshfeld surface analysis and Density Functional Theory<b> (</b>DFT) calculations were included to rationalize the relative strength of the π-stacking assemblies observed in both complexes.</p></div>\",\"PeriodicalId\":676,\"journal\":{\"name\":\"Journal of the Iranian Chemical Society\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.2000,\"publicationDate\":\"2024-05-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of the Iranian Chemical Society\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s13738-024-03034-6\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of the Iranian Chemical Society","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s13738-024-03034-6","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Synthesis and structural characterization of nickel(II) coordination complexes with mixed-ligand systems: exploring π−π stacking and hydrogen bonding in supramolecular assemblies
Two coordination complexes [Ni(Hpydco)2(bpy)] (1) and [Ni(pydco)(phen)(H2O)2]·4.5H2O 0.5CH3OH (2) have been synthesized using a mixed-ligand system including pyridine-2,5-dicarboxylic acid N-oxide (H2pydco) as an O-donor ligand and 2,2'-bipyridine (bpy) or 1,10-phenanthroline (phen) as a chelating N-donor ligand and NiCl2.6H2O as a source for Ni ions. The crystal structures of 1 and 2 form discrete complexes in which extensive π−π stacking interactions between aromatic rings of the N-donor ligands resulted in the formation of one dimensional (1D) chain-like structures. The chains are connected by hydrogen bonds to expand the structures into 2D-supramolecular networks. Hirshfeld surface analysis and Density Functional Theory (DFT) calculations were included to rationalize the relative strength of the π-stacking assemblies observed in both complexes.
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JICS is an international journal covering general fields of chemistry. JICS welcomes high quality original papers in English dealing with experimental, theoretical and applied research related to all branches of chemistry. These include the fields of analytical, inorganic, organic and physical chemistry as well as the chemical biology area. Review articles discussing specific areas of chemistry of current chemical or biological importance are also published. JICS ensures visibility of your research results to a worldwide audience in science. You are kindly invited to submit your manuscript to the Editor-in-Chief or Regional Editor. All contributions in the form of original papers or short communications will be peer reviewed and published free of charge after acceptance.
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