Multi-technique structural analysis of zinc carboxylates (soaps)

锌羧酸盐(皂)的多技术结构分析

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作者:Molly Wagner, Roberta Pigliapochi, Valeria Di Tullio, Jaclyn Catalano, Nicholas Zumbulyadis, Silvia A Centeno, Xiaoling Wang, Kuizhi Chen, Ivan Hung, Zhehong Gan, Michael R Dworzak, Glenn P A Yap, Cecil Dybowski

Abstract

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 67Zn NMR spectroscopy up to 35.2 T, as well as 13C 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.

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