17-HSQC.zipNMR data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17). 1H, 13C, HSQC

The synthesis of acylpyrazolone salts and their complexes of main group elements, transition metals, lanthanides, and actinides are described and characterized inter alia by means of single-crystal X-ray crystallography, NMR, and IR spectroscopies. The complexes consist of two, three, or four acylprazolone ligands bound to the metal atom, resulting in a structurally diverse set of coordination complexes with (distorted) octahedral, pentagonal-bipyramidal, or antiprismatic arrangements. Several complexes proved to be polymeric in the solid state including heterobimetallic sodium/lanthanide coordination polymers. A selection of the polymeric compounds was analyzed via TG/DTA measurements to establish their stability. The ligands, in turn, were readily synthesized in good yields from commercially available hydrazine hydrochloride salts. These findings demonstrate that acylpyrazolone ligands can form complexes with metals of varying ionic radii, highlighted by their utility in other areas such as analytical and metal organic framework chemistry.

本研究详细报道了酰基吡唑啉酮（acylpyrazolone）盐及其与主族元素、过渡金属、镧系元素及锕系元素所形成配合物的合成方法与表征结果，表征手段涵盖单晶X射线晶体学、核磁共振（NMR）波谱学及红外（IR）光谱学等。该类配合物由2、3或4个酰基吡唑啉酮配体与金属原子配位结合，由此构建出一系列结构丰富多样的配位化合物，其配位构型包括（畸变）八面体、五角双锥及反棱柱结构。部分配合物在固态下呈聚合态，其中包含异双金属钠/镧系配位聚合物。研究选取部分聚合态化合物开展热重-差热（TG/DTA）联用分析，以确定其热稳定性能。而该类配体可由市售盐酸肼盐以良好产率便捷合成。上述研究结果证实，酰基吡唑啉酮配体能够与不同离子半径的金属形成配位配合物，这一点可通过其在分析化学及金属有机框架（metal organic framework）化学等领域的应用得到凸显。