Multi-technique structural analysis of zinc carboxylates (soaps).

Authors :: Wagner M
Pigliapochi R
Di Tullio V
Catalano J
Zumbulyadis N
Centeno SA
Wang X
Chen K
Hung I
Gan Z
Dworzak MR
Yap GPA
Dybowski C
Source :: Dalton transactions (Cambridge, England : 2003) [Dalton Trans] 2023 May 09; Vol. 52 (18), pp. 6152-6165. Date of Electronic Publication: 2023 May 09.
Publication Year :: 2023
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 <superscript>67</superscript> Zn NMR spectroscopy up to 35.2 T, as well as <superscript>13</superscript> 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.