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

IF 1.8 3区 化学 Q4 CHEMISTRY, PHYSICAL Solid state nuclear magnetic resonance Pub Date : 2022-08-01 DOI:10.1016/j.ssnmr.2022.101809
Marcus Rauche , Sebastian Ehrling , Leila Abylgazina , Christopher Bachetzky , Irena Senkovska , Stefan Kaskel , Eike Brunner
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引用次数: 2

摘要

在目前的贡献中,我们描述了原型柔性MOF化合物DUT-8(M) (M = Ni, Co, Zn)中桨轮单元的固态核磁共振光谱研究。这些羧酸盐的13C核磁共振化学位移表现出显著的行为。纯2,6- h2ndc连接剂羧酸盐和DUT-8(Zn)的13c化学位移仅为170 ppm左右。相比之下,DUT-8(Ni),特别是DUT-8(Co)的值要高得多。在开孔状态下,后两种情况下的位移强烈依赖于溶剂极性。目前的贡献阐明了溶剂影响的原因。结果表明,溶剂主要改变DUT-8(Ni)和DUT-8(Co)中激发高自旋态的各向同性费米接触耦合常数。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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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).

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来源期刊
CiteScore
5.30
自引率
9.40%
发文量
42
审稿时长
72 days
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.
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