German Cancer Research Center (DKFZ), Molecular Structure Analysis, INF 280, 69120 Heidelberg, Germany.
University of Hamburg, Institute of Pharmacy, Bundesstraße 45, 20146 Hamburg, Germany.
Dalton Trans. 2022 Aug 23;51(33):12436-12441. doi: 10.1039/d2dt01702d.
The HBED chelator is used to stabilize small and hard metal ions such as Fe, Ti, Ga and Al in both medicine and industry. While the coordination of hexadentate HBED is known in the case of Fe, Ti and Ga, it is unknown in the case of the small Al ion since its corresponding complex has never been fully characterized. Thus, in this work the coordination pattern in a newly synthesized aluminum HBED-based complex ([Al-HBED-NN]Na) was determined using 2D NMR in conjunction with DFT calculations.
HBED 螯合剂用于稳定医学和工业领域中的小而硬的金属离子，如 Fe、Ti、Ga 和 Al。尽管六齿 HBED 与 Fe、Ti 和 Ga 的配位情况已为人所知，但由于其相应的配合物从未被完全表征，因此对于小的 Al 离子而言，其配位模式尚不清楚。因此，在这项工作中，使用二维 NMR 结合 DFT 计算确定了新合成的基于 HBED 的铝配合物([Al-HBED-NN]Na)中的配位模式。
