Multi-technique structural analysis of zinc carboxylates (soaps)

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

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


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.

Original languageEnglish
Pages (from-to)6152-6165
Number of pages14
JournalDalton Transactions
Issue number18
StatePublished - 15 Apr 2023


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