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

9 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",

note = "Publisher Copyright: {\textcopyright} 2023 The Royal Society of Chemistry.",

year = "2023",

month = apr,

day = "15",

doi = "10.1039/d3dt00184a",

language = "English",

volume = "52",

pages = "6152--6165",

journal = "Dalton Transactions",

issn = "1477-9226",

publisher = "Royal Society of Chemistry",

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TY - JOUR

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 - https://www.scopus.com/pages/publications/85153494581

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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