Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware 19716, USA.
US Department of Energy, Ames Laboratory, Ames, Iowa 50010, USA.
Dalton Trans. 2023 May 9;52(18):6152-6165. doi: 10.1039/d3dt00184a.
A series of medium- and long-chain zinc carboxylates (zinc octanoate, zinc nonanoate, zinc decanoate, zinc undecanoate, zinc dodecanoate, zinc pivalate, zinc stearate, zinc palmitate, zinc oleate, and zinc azelate) was analyzed by ultra-high-field Zn NMR spectroscopy up to 35.2 T, as well as C NMR and FTIR spectroscopy. We also report the single-crystal X-ray diffraction structures of zinc nonanoate, zinc decanoate, and zinc oleate-the first long-chain carboxylate single-crystals to be reported for zinc. The NMR and X-ray diffraction data suggest that the carboxylates exist in three distinct geometric groups, based on structural and spectroscopic parameters. The ssNMR results presented here present a future for dynamic nuclear polarization (DNP)-NMR-based minimally invasive methods for testing artwork for the presence of zinc carboxylates.
采用超场强 Zn NMR 光谱法（高达 35.2 T）以及 C NMR 和 FTIR 光谱法对一系列中长链锌羧酸盐（辛酸锌、壬酸锌、癸酸锌、十一酸锌、月桂酸锌、特戊酸锌、硬脂酸锌、棕榈酸锌、油酸锌和油酸酸锌）进行了分析。我们还报告了锌壬酸、锌癸酸和锌油酸的单晶 X 射线衍射结构 - 这是首次报道的锌的长链羧酸盐单晶。NMR 和 X 射线衍射数据表明，根据结构和光谱参数，羧酸盐存在于三种不同的几何组中。这里提出的 ssNMR 结果为基于动态核极化（DNP）-NMR 的微创方法检测艺术品中是否存在锌羧酸盐提供了未来的可能性。
