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

doi:10.1039/d3dt00184a

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

Chemistry and Biochemistry

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

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.

Original language	English
Pages (from-to)	6152-6165
Number of pages	14
Journal	Dalton Transactions
Volume	52
Issue number	18
DOIs	https://doi.org/10.1039/d3dt00184a
State	Published - 15 Apr 2023

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title = "Multi-technique structural analysis of zinc carboxylates (soaps)",

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.",

author = "Molly Wagner and Roberta Pigliapochi and {Di Tullio}, Valeria and Jaclyn Catalano and Nicholas Zumbulyadis and Centeno, {Silvia A.} and Xiaoling Wang and Kuizhi Chen and Ivan Hung and Zhehong Gan and Dworzak, {Michael R.} and Yap, {Glenn P.A.} and Cecil Dybowski",

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year = "2023",

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day = "15",

doi = "10.1039/d3dt00184a",

language = "English",

volume = "52",

pages = "6152--6165",

journal = "Dalton Transactions",

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T1 - Multi-technique structural analysis of zinc carboxylates (soaps)

AU - Wagner, Molly

AU - Pigliapochi, Roberta

AU - Di Tullio, Valeria

AU - Catalano, Jaclyn

AU - Zumbulyadis, Nicholas

AU - Centeno, Silvia A.

AU - Wang, Xiaoling

AU - Chen, Kuizhi

AU - Hung, Ivan

AU - Gan, Zhehong

AU - Dworzak, Michael R.

AU - Yap, Glenn P.A.

AU - Dybowski, Cecil

PY - 2023/4/15

Y1 - 2023/4/15

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85153494581&partnerID=8YFLogxK

U2 - 10.1039/d3dt00184a

DO - 10.1039/d3dt00184a

M3 - Article

C2 - 37073995

AN - SCOPUS:85153494581

SN - 1477-9226

VL - 52

SP - 6152

EP - 6165

JO - Dalton Transactions

JF - Dalton Transactions

IS - 18

ER -

Multi-technique structural analysis of zinc carboxylates (soaps)

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