Hai Le Thi Hong , Duong Hoang Tuan , Anh Nguyen Duc , Hien Nguyen , Luc Van Meervelt , M. Weil (Editor)
{"title":"6-(二乙基氨基)-4-苯基-2-(吡啶-2-基)喹啉双核 MnII 配合物的合成、晶体结构和光物理特性。","authors":"Hai Le Thi Hong , Duong Hoang Tuan , Anh Nguyen Duc , Hien Nguyen , Luc Van Meervelt , M. Weil (Editor)","doi":"10.1107/S2056989024006042","DOIUrl":null,"url":null,"abstract":"<div><p>The two Mn<sup>II</sup> atoms in the complex display a different coordination number, <em>viz</em>. five with a distorted trigonal–bipyramidal Cl<sub>3</sub>N<sub>2</sub> and six with a distorted octahedral Cl<sub>3</sub>N<sub>2</sub>O coordination set.</p></div><div><p>A new quinoline derivative, namely, 6-(diethylamino)-4-phenyl-2-(pyridin-2-yl)quinoline, C<sub>24</sub>H<sub>23</sub>N<sub>3</sub> (<strong>QP</strong>), and its Mn<sup>II</sup> complex aqua-1κ<em>O</em>-di-μ-chlorido-1:2κ<sup>4</sup><em>Cl</em>:<em>Cl</em>-dichlorido-1κ<em>Cl</em>,2κ<em>Cl</em>-bis[6-(diethylamino)-4-phenyl-2-(pyridin-2-yl)quinoline]-1κ<sup>2</sup><em>N</em><sup>1</sup>,<em>N</em><sup>2</sup>;2κ<sup>2</sup><em>N</em><sup>1</sup>,<em>N</em><sup>2</sup>-dimanganese(II), [Mn<sub>2</sub>Cl<sub>4</sub>(C<sub>24</sub>H<sub>23</sub>N<sub>3</sub>)<sub>2</sub>(H<sub>2</sub>O)] (<strong>MnQP</strong>), were synthesized. Their compositions have been determined with ESI-MS, IR, and <sup>1</sup>H NMR spectroscopy. The crystal-structure determination of <strong>MnQP</strong> revealed a dinuclear complex with a central four-membered Mn<sub>2</sub>Cl<sub>2</sub> ring. Both Mn<sup>II</sup> atoms bind to an additional Cl atom and to two N atoms of the <strong>QP</strong> ligand. One Mn<sup>II</sup> atom expands its coordination sphere with an extra water molecule, resulting in a distorted octahedral shape. The second Mn<sup>II</sup> atom shows a distorted trigonal–bipyramidal shape. The UV–vis absorption and emission spectra of the examined compounds were studied. Furthermore, when investigating the aggregation-induced emission (AIE) properties, it was found that the fluorescent color changes from blue to green and eventually becomes yellow as the fraction of water in the THF/water mixture increases from 0% to 99%. In particular, these color and intensity changes are most pronounced at a water fraction of 60%. The crystal structure contains disordered solvent molecules, which could not be modeled. The SQUEEZE procedure [Spek (2015<span>#</span>). <em>Acta Cryst.</em> C<strong>71</strong>, 9–18] was used to obtain information on the type and quantity of solvent molecules, which resulted in 44 electrons in a void volume of 274 Å<sup>3</sup>, corresponding to approximately 1.7 molecules of ethanol in the unit cell. These ethanol molecules are not considered in the given chemical formula and other crystal data.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 7","pages":"Pages 795-799"},"PeriodicalIF":0.5000,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11223701/pdf/","citationCount":"0","resultStr":"{\"title\":\"Synthesis, crystal structure and photophysical properties of a dinuclear MnII complex with 6-(diethylamino)-4-phenyl-2-(pyridin-2-yl)quinoline\",\"authors\":\"Hai Le Thi Hong , Duong Hoang Tuan , Anh Nguyen Duc , Hien Nguyen , Luc Van Meervelt , M. Weil (Editor)\",\"doi\":\"10.1107/S2056989024006042\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The two Mn<sup>II</sup> atoms in the complex display a different coordination number, <em>viz</em>. five with a distorted trigonal–bipyramidal Cl<sub>3</sub>N<sub>2</sub> and six with a distorted octahedral Cl<sub>3</sub>N<sub>2</sub>O coordination set.</p></div><div><p>A new quinoline derivative, namely, 6-(diethylamino)-4-phenyl-2-(pyridin-2-yl)quinoline, C<sub>24</sub>H<sub>23</sub>N<sub>3</sub> (<strong>QP</strong>), and its Mn<sup>II</sup> complex aqua-1κ<em>O</em>-di-μ-chlorido-1:2κ<sup>4</sup><em>Cl</em>:<em>Cl</em>-dichlorido-1κ<em>Cl</em>,2κ<em>Cl</em>-bis[6-(diethylamino)-4-phenyl-2-(pyridin-2-yl)quinoline]-1κ<sup>2</sup><em>N</em><sup>1</sup>,<em>N</em><sup>2</sup>;2κ<sup>2</sup><em>N</em><sup>1</sup>,<em>N</em><sup>2</sup>-dimanganese(II), [Mn<sub>2</sub>Cl<sub>4</sub>(C<sub>24</sub>H<sub>23</sub>N<sub>3</sub>)<sub>2</sub>(H<sub>2</sub>O)] (<strong>MnQP</strong>), were synthesized. Their compositions have been determined with ESI-MS, IR, and <sup>1</sup>H NMR spectroscopy. The crystal-structure determination of <strong>MnQP</strong> revealed a dinuclear complex with a central four-membered Mn<sub>2</sub>Cl<sub>2</sub> ring. Both Mn<sup>II</sup> atoms bind to an additional Cl atom and to two N atoms of the <strong>QP</strong> ligand. One Mn<sup>II</sup> atom expands its coordination sphere with an extra water molecule, resulting in a distorted octahedral shape. The second Mn<sup>II</sup> atom shows a distorted trigonal–bipyramidal shape. The UV–vis absorption and emission spectra of the examined compounds were studied. Furthermore, when investigating the aggregation-induced emission (AIE) properties, it was found that the fluorescent color changes from blue to green and eventually becomes yellow as the fraction of water in the THF/water mixture increases from 0% to 99%. In particular, these color and intensity changes are most pronounced at a water fraction of 60%. The crystal structure contains disordered solvent molecules, which could not be modeled. The SQUEEZE procedure [Spek (2015<span>#</span>). <em>Acta Cryst.</em> C<strong>71</strong>, 9–18] was used to obtain information on the type and quantity of solvent molecules, which resulted in 44 electrons in a void volume of 274 Å<sup>3</sup>, corresponding to approximately 1.7 molecules of ethanol in the unit cell. These ethanol molecules are not considered in the given chemical formula and other crystal data.</p></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 7\",\"pages\":\"Pages 795-799\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11223701/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/S205698902400149X\",\"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/S205698902400149X","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Synthesis, crystal structure and photophysical properties of a dinuclear MnII complex with 6-(diethylamino)-4-phenyl-2-(pyridin-2-yl)quinoline
The two MnII atoms in the complex display a different coordination number, viz. five with a distorted trigonal–bipyramidal Cl3N2 and six with a distorted octahedral Cl3N2O coordination set.
A new quinoline derivative, namely, 6-(diethylamino)-4-phenyl-2-(pyridin-2-yl)quinoline, C24H23N3 (QP), and its MnII complex aqua-1κO-di-μ-chlorido-1:2κ4Cl:Cl-dichlorido-1κCl,2κCl-bis[6-(diethylamino)-4-phenyl-2-(pyridin-2-yl)quinoline]-1κ2N1,N2;2κ2N1,N2-dimanganese(II), [Mn2Cl4(C24H23N3)2(H2O)] (MnQP), were synthesized. Their compositions have been determined with ESI-MS, IR, and 1H NMR spectroscopy. The crystal-structure determination of MnQP revealed a dinuclear complex with a central four-membered Mn2Cl2 ring. Both MnII atoms bind to an additional Cl atom and to two N atoms of the QP ligand. One MnII atom expands its coordination sphere with an extra water molecule, resulting in a distorted octahedral shape. The second MnII atom shows a distorted trigonal–bipyramidal shape. The UV–vis absorption and emission spectra of the examined compounds were studied. Furthermore, when investigating the aggregation-induced emission (AIE) properties, it was found that the fluorescent color changes from blue to green and eventually becomes yellow as the fraction of water in the THF/water mixture increases from 0% to 99%. In particular, these color and intensity changes are most pronounced at a water fraction of 60%. The crystal structure contains disordered solvent molecules, which could not be modeled. The SQUEEZE procedure [Spek (2015#). Acta Cryst. C71, 9–18] was used to obtain information on the type and quantity of solvent molecules, which resulted in 44 electrons in a void volume of 274 Å3, corresponding to approximately 1.7 molecules of ethanol in the unit cell. These ethanol molecules are not considered in the given chemical formula and other crystal data.
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.