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DOE OSTI · 2469933

Multi-technique structural analysis of zinc carboxylates (soaps)

Wagner, Molly·Pigliapochi, Roberta·Di Tullio, Valeria·Catalano, Jaclyn·Zumbulyadis, Nicholas·Centeno, Silvia A.·Wang, Xiaoling·Chen, Kuizhi·Hung, Ivan·Gan, Zhehong·Dworzak, Michael R.·Yap, Glenn A.·Dybowski, Cecil
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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 67 Zn NMR spectroscopy up to 35.2 T, as well as 13 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.

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Wagner, Molly, Pigliapochi, Roberta, Di Tullio, Valeria, Catalano, Jaclyn, Zumbulyadis, Nicholas, Centeno, Silvia A., Wang, Xiaoling, Chen, Kuizhi, Hung, Ivan, Gan, Zhehong, Dworzak, Michael R., Yap, Glenn A., Dybowski, Cecil. 2023-04-15. Multi-technique structural analysis of zinc carboxylates (soaps). https://doi.org/10.1039/d3dt00184a

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