Hai Le Thi Hong , Hien Nguyen , Duong Trinh Hong , Ninh Nguyen Hoang , Khanh Nguyen Nhat , Luc Van Meervelt
{"title":"以三乙基铵为侧翼的单核和双核ni配合物的晶体结构和光物理性质。","authors":"Hai Le Thi Hong , Hien Nguyen , Duong Trinh Hong , Ninh Nguyen Hoang , Khanh Nguyen Nhat , Luc Van Meervelt","doi":"10.1107/S2056989024010302","DOIUrl":null,"url":null,"abstract":"<div><div>Two new zinc(II) complexes, C<sub>21</sub>H<sub>13</sub>Cl<sub>2</sub>N<sub>2</sub>O<sub>3</sub>Zn·C<sub>6</sub>H<sub>16</sub>N (<strong>ZnOQ</strong>) and C<sub>20</sub>H<sub>14</sub>Cl<sub>4</sub>N<sub>2</sub>O<sub>2</sub>Zn·2C<sub>6</sub>H<sub>16</sub>N (<strong>ZnBS</strong>), were synthesized and their structures were determined using ESI–MS spectrometry, <sup>1</sup>H NMR spectroscopy, and single-crystal X-ray diffraction.</div></div><div><div>Two new zinc(II) complexes, triethylammonium dichlorido[2-(4-nitrophenyl)-4-phenylquinolin-8-olato]zinc(II), (C<sub>6</sub>H<sub>16</sub>N){Zn(C<sub>21</sub>H<sub>13</sub>N<sub>2</sub>O<sub>3</sub>)Cl<sub>2</sub>] (<strong>ZnOQ</strong>), and bis(triethylammonium) {2,2′-[1,4-phenylenebis(nitrilomethylidyne)]diphenolato}bis[dichloridozinc(II)], (C<sub>6</sub>H<sub>16</sub>N)<sub>2</sub>[Zn<sub>2</sub>(C<sub>20</sub>H<sub>14</sub>N<sub>2</sub>O<sub>2</sub>)Cl<sub>4</sub>] (<strong>ZnBS</strong>), were synthesized and their structures were determined using ESI–MS spectrometry, <sup>1</sup>H NMR spectroscopy, and single-crystal X-ray diffraction. The results showed that the ligands 2-(4-nitrophenyl)-4-phenylquinolin-8-ol (<strong>HOQ</strong>) and <em>N</em>,<em>N</em>′-bis(2-hydroxybenzylidene)benzene-1,4-diamine (<strong>H<sub>2</sub>BS</strong>) were deprotonated by triethyl-amine, forming the counter-ion Et<sub>3</sub>NH<sup>+</sup>, which interacts <em>via</em> an N—H⋯O hydrogen bond with the ligand. The Zn<sup>II</sup> atoms have a distorted trigonal–pyramidal (<strong>ZnOQ</strong>) and distorted tetrahedral (<strong>ZnBS</strong>) geometries with a coordination number of four, coordinating with the ligands <em>via</em> N and O atoms. The N atoms coordinating with Zn<sup>II</sup> correspond to the heterocyclic nitrogen for the <strong>HOQ</strong> ligand, while for the <strong>H<sub>2</sub>BS</strong> ligand, it is the nitrogen of the imine (CH=N). The crystal packing of <strong>ZnOQ</strong> is characterized by C—H⋯π interactions, while that of <strong>ZnBS</strong> by C—H⋯Cl interactions. The emission spectra showed that <strong>ZnBS</strong> complex exhibits green fluorescence in the solid state with a small band-gap energy, and the <strong>ZnOQ</strong> complex does exhibit non-fluorescence.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1210-1216"},"PeriodicalIF":0.5000,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660477/pdf/","citationCount":"0","resultStr":"{\"title\":\"Crystal structures and photophysical properties of mono- and dinuclear ZnII complexes flanked by triethylammonium\",\"authors\":\"Hai Le Thi Hong , Hien Nguyen , Duong Trinh Hong , Ninh Nguyen Hoang , Khanh Nguyen Nhat , Luc Van Meervelt\",\"doi\":\"10.1107/S2056989024010302\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Two new zinc(II) complexes, C<sub>21</sub>H<sub>13</sub>Cl<sub>2</sub>N<sub>2</sub>O<sub>3</sub>Zn·C<sub>6</sub>H<sub>16</sub>N (<strong>ZnOQ</strong>) and C<sub>20</sub>H<sub>14</sub>Cl<sub>4</sub>N<sub>2</sub>O<sub>2</sub>Zn·2C<sub>6</sub>H<sub>16</sub>N (<strong>ZnBS</strong>), were synthesized and their structures were determined using ESI–MS spectrometry, <sup>1</sup>H NMR spectroscopy, and single-crystal X-ray diffraction.</div></div><div><div>Two new zinc(II) complexes, triethylammonium dichlorido[2-(4-nitrophenyl)-4-phenylquinolin-8-olato]zinc(II), (C<sub>6</sub>H<sub>16</sub>N){Zn(C<sub>21</sub>H<sub>13</sub>N<sub>2</sub>O<sub>3</sub>)Cl<sub>2</sub>] (<strong>ZnOQ</strong>), and bis(triethylammonium) {2,2′-[1,4-phenylenebis(nitrilomethylidyne)]diphenolato}bis[dichloridozinc(II)], (C<sub>6</sub>H<sub>16</sub>N)<sub>2</sub>[Zn<sub>2</sub>(C<sub>20</sub>H<sub>14</sub>N<sub>2</sub>O<sub>2</sub>)Cl<sub>4</sub>] (<strong>ZnBS</strong>), were synthesized and their structures were determined using ESI–MS spectrometry, <sup>1</sup>H NMR spectroscopy, and single-crystal X-ray diffraction. The results showed that the ligands 2-(4-nitrophenyl)-4-phenylquinolin-8-ol (<strong>HOQ</strong>) and <em>N</em>,<em>N</em>′-bis(2-hydroxybenzylidene)benzene-1,4-diamine (<strong>H<sub>2</sub>BS</strong>) were deprotonated by triethyl-amine, forming the counter-ion Et<sub>3</sub>NH<sup>+</sup>, which interacts <em>via</em> an N—H⋯O hydrogen bond with the ligand. The Zn<sup>II</sup> atoms have a distorted trigonal–pyramidal (<strong>ZnOQ</strong>) and distorted tetrahedral (<strong>ZnBS</strong>) geometries with a coordination number of four, coordinating with the ligands <em>via</em> N and O atoms. The N atoms coordinating with Zn<sup>II</sup> correspond to the heterocyclic nitrogen for the <strong>HOQ</strong> ligand, while for the <strong>H<sub>2</sub>BS</strong> ligand, it is the nitrogen of the imine (CH=N). The crystal packing of <strong>ZnOQ</strong> is characterized by C—H⋯π interactions, while that of <strong>ZnBS</strong> by C—H⋯Cl interactions. The emission spectra showed that <strong>ZnBS</strong> complex exhibits green fluorescence in the solid state with a small band-gap energy, and the <strong>ZnOQ</strong> complex does exhibit non-fluorescence.</div></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 11\",\"pages\":\"Pages 1210-1216\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-10-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660477/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S2056989024002597\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989024002597","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Crystal structures and photophysical properties of mono- and dinuclear ZnII complexes flanked by triethylammonium
Two new zinc(II) complexes, C21H13Cl2N2O3Zn·C6H16N (ZnOQ) and C20H14Cl4N2O2Zn·2C6H16N (ZnBS), were synthesized and their structures were determined using ESI–MS spectrometry, 1H NMR spectroscopy, and single-crystal X-ray diffraction.
Two new zinc(II) complexes, triethylammonium dichlorido[2-(4-nitrophenyl)-4-phenylquinolin-8-olato]zinc(II), (C6H16N){Zn(C21H13N2O3)Cl2] (ZnOQ), and bis(triethylammonium) {2,2′-[1,4-phenylenebis(nitrilomethylidyne)]diphenolato}bis[dichloridozinc(II)], (C6H16N)2[Zn2(C20H14N2O2)Cl4] (ZnBS), were synthesized and their structures were determined using ESI–MS spectrometry, 1H NMR spectroscopy, and single-crystal X-ray diffraction. The results showed that the ligands 2-(4-nitrophenyl)-4-phenylquinolin-8-ol (HOQ) and N,N′-bis(2-hydroxybenzylidene)benzene-1,4-diamine (H2BS) were deprotonated by triethyl-amine, forming the counter-ion Et3NH+, which interacts via an N—H⋯O hydrogen bond with the ligand. The ZnII atoms have a distorted trigonal–pyramidal (ZnOQ) and distorted tetrahedral (ZnBS) geometries with a coordination number of four, coordinating with the ligands via N and O atoms. The N atoms coordinating with ZnII correspond to the heterocyclic nitrogen for the HOQ ligand, while for the H2BS ligand, it is the nitrogen of the imine (CH=N). The crystal packing of ZnOQ is characterized by C—H⋯π interactions, while that of ZnBS by C—H⋯Cl interactions. The emission spectra showed that ZnBS complex exhibits green fluorescence in the solid state with a small band-gap energy, and the ZnOQ complex does exhibit non-fluorescence.
期刊介绍:
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.