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NMR 研究钴（II）杯[4]芳烃配合物的顺磁性质和中等快速构象动力学。

Paramagnetic Properties and Moderately RapidConformational Dynamics in the Cobalt(II) Calix[4]arene Complex by NMR.

机构信息

Nikolayev Institute of Inorganic Chemistry SB RAS, 630090 Novosibirsk, Russia.

出版信息

Molecules. 2022 Jul 21;27(14):4668. doi: 10.3390/molecules27144668.

DOI:10.3390/molecules27144668
PMID:35889541
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9317762/
Abstract

H NMR measurements are reported for the CDCl/CDCl solutions of the Co(II) calix[4]arenetetraphosphineoxide complex (). Temperature dependences of the H NMR spectra of have been analyzed using the line shape analysis, taking into account the temperature variation of paramagnetic chemical shifts, within the frame of the dynamic NMR method. Conformational dynamics of the 2:1 Co(II) calix[4]arene complexes was conditioned by the ↔ interconversion of (with activation Gibbs energy Δ(298K) = 40 ± 3 kJ/mol. Due to substantial temperature dependence of paramagnetic shifts, complex can be used as model compound for designing an NMR thermosensor reagent for local temperature monitoring.

摘要

H NMR 测量结果报告了 Co(II)杯[4]芳烃四膦氧化物配合物（）在 CDCl/CDCl 溶液中的情况。使用线谱分析方法，考虑到顺磁化学位移随温度的变化，对的 H NMR 光谱的温度依赖性进行了分析，这是动态 NMR 方法的一部分。2:1 Co(II)杯[4]芳烃配合物的构象动力学受到 （其中 Δ(298K) = 40 ± 3 kJ/mol）的↔ 互变的调节。由于顺磁位移的温度依赖性很大，因此配合物可以用作设计用于局部温度监测的 NMR 热敏试剂的模型化合物。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2203/9317762/ed88d452c1e9/molecules-27-04668-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2203/9317762/4e8bf442571b/molecules-27-04668-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2203/9317762/5a0a9ad73e80/molecules-27-04668-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2203/9317762/39182979f71c/molecules-27-04668-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2203/9317762/e0c0f2cf6b89/molecules-27-04668-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2203/9317762/3e30bb090f47/molecules-27-04668-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2203/9317762/245dc6b46af2/molecules-27-04668-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2203/9317762/ed88d452c1e9/molecules-27-04668-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2203/9317762/4e8bf442571b/molecules-27-04668-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2203/9317762/5a0a9ad73e80/molecules-27-04668-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2203/9317762/39182979f71c/molecules-27-04668-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2203/9317762/e0c0f2cf6b89/molecules-27-04668-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2203/9317762/3e30bb090f47/molecules-27-04668-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2203/9317762/245dc6b46af2/molecules-27-04668-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2203/9317762/ed88d452c1e9/molecules-27-04668-g006.jpg

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本文引用的文献

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J Incl Phenom Macrocycl Chem. 2022;102(1-2):1-33. doi: 10.1007/s10847-021-01112-3. Epub 2021 Nov 11.
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A comprehensive study of the complexation of alkali metal cations by lower rim calix[4]arene amide derivatives.下缘杯[4]芳烃酰胺衍生物对碱金属阳离子络合作用的综合研究。
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Six-coordinate Iron(II) and Cobalt(II) paraSHIFT Agents for Measuring Temperature by Magnetic Resonance Spectroscopy.
用于磁共振波谱法测量温度的六配位铁（II）和钴（II）顺磁位移试剂。
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Lanthanides as NMR probes of fast molecular dynamics at high magnetic fields and temperature sensors: conformational interconversion of erbium ethylenediaminetetraacetate complexes.镧系元素作为高磁场和温度下快速分子动力学的 NMR 探针：铒乙二胺四乙酸配合物的构象互变。
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