Marcus Rauche , Sebastian Ehrling , Leila Abylgazina , Christopher Bachetzky , Irena Senkovska , Stefan Kaskel , Eike Brunner
{"title":"金属离子和溶剂对柔性金属-有机骨架DUT-8影响的固态核磁共振研究","authors":"Marcus Rauche , Sebastian Ehrling , Leila Abylgazina , Christopher Bachetzky , Irena Senkovska , Stefan Kaskel , Eike Brunner","doi":"10.1016/j.ssnmr.2022.101809","DOIUrl":null,"url":null,"abstract":"<div><p><span>Within the present contribution, we describe solid-state NMR spectroscopic studies of the paddle wheel unit in the prototypic flexible MOF compound DUT-8(M) (M = Ni, Co, Zn). The </span><sup>13</sup><span>C NMR chemical shift of these carboxylates shows a remarkable behavior. The pure 2,6-H</span><sub>2</sub>ndc linker carboxylates as well as DUT-8(Zn) exhibit a<sup>13</sup>C chemical shift of only about 170 ppm. In contrast, much higher values are observed for DUT-8(Ni) and especially DUT-8(Co). In the open pore state, the shift strongly depends on the solvent polarity in these two latter cases. The present contribution elucidates the reason for this solvent influence. It is concluded that the solvent mainly modifies the isotropic Fermi contact coupling constant for the excited high-spin states in DUT-8(Ni) and DUT-8(Co).</p></div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":null,"pages":null},"PeriodicalIF":1.8000,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":"{\"title\":\"Solid-state NMR studies of metal ion and solvent influences upon the flexible metal-organic framework DUT-8\",\"authors\":\"Marcus Rauche , Sebastian Ehrling , Leila Abylgazina , Christopher Bachetzky , Irena Senkovska , Stefan Kaskel , Eike Brunner\",\"doi\":\"10.1016/j.ssnmr.2022.101809\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p><span>Within the present contribution, we describe solid-state NMR spectroscopic studies of the paddle wheel unit in the prototypic flexible MOF compound DUT-8(M) (M = Ni, Co, Zn). The </span><sup>13</sup><span>C NMR chemical shift of these carboxylates shows a remarkable behavior. The pure 2,6-H</span><sub>2</sub>ndc linker carboxylates as well as DUT-8(Zn) exhibit a<sup>13</sup>C chemical shift of only about 170 ppm. In contrast, much higher values are observed for DUT-8(Ni) and especially DUT-8(Co). In the open pore state, the shift strongly depends on the solvent polarity in these two latter cases. The present contribution elucidates the reason for this solvent influence. It is concluded that the solvent mainly modifies the isotropic Fermi contact coupling constant for the excited high-spin states in DUT-8(Ni) and DUT-8(Co).</p></div>\",\"PeriodicalId\":21937,\"journal\":{\"name\":\"Solid state nuclear magnetic resonance\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2022-08-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Solid state nuclear magnetic resonance\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0926204022000388\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Solid state nuclear magnetic resonance","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0926204022000388","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Solid-state NMR studies of metal ion and solvent influences upon the flexible metal-organic framework DUT-8
Within the present contribution, we describe solid-state NMR spectroscopic studies of the paddle wheel unit in the prototypic flexible MOF compound DUT-8(M) (M = Ni, Co, Zn). The 13C NMR chemical shift of these carboxylates shows a remarkable behavior. The pure 2,6-H2ndc linker carboxylates as well as DUT-8(Zn) exhibit a13C chemical shift of only about 170 ppm. In contrast, much higher values are observed for DUT-8(Ni) and especially DUT-8(Co). In the open pore state, the shift strongly depends on the solvent polarity in these two latter cases. The present contribution elucidates the reason for this solvent influence. It is concluded that the solvent mainly modifies the isotropic Fermi contact coupling constant for the excited high-spin states in DUT-8(Ni) and DUT-8(Co).
期刊介绍:
The journal Solid State Nuclear Magnetic Resonance publishes original manuscripts of high scientific quality dealing with all experimental and theoretical aspects of solid state NMR. This includes advances in instrumentation, development of new experimental techniques and methodology, new theoretical insights, new data processing and simulation methods, and original applications of established or novel methods to scientific problems.