Relating Alkaline Stability to the Structure of Quaternary Phosphonium Cations

Hai Long; Bryan Pivovar; Bingzi Zhang; Robert Kaspar; Junhua Wang; Shuang Gu; Zhongbin Zhuang; Yushan Yan

doi:10.1039/C8RA03440K

Relating Alkaline Stability to the Structure of Quaternary Phosphonium Cations

Hai Long, Bryan Pivovar, Bingzi Zhang, Robert Kaspar, Junhua Wang, Shuang Gu, Zhongbin Zhuang, Yushan Yan

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

14 Scopus Citations

Abstract

Alkali-stable quaternary phosphonium (QP) is a type of cationic group for hydroxide exchange membranes (HEMs). To elucidate the relationship between structure and alkaline stability, we investigated the kinetics and degradation mechanism of a series of QP cations by both experiment and computation, and established a semi-empirical formula based on the Taft equation to directly estimate alkaline stability of QP cations from the ³¹P NMR chemical shift δ and the steric substituent constant E_s, facilitating the search for QP cations with improved alkaline stability.

Original language	American English
Pages (from-to)	26640-26645
Number of pages	6
Journal	RSC Advances
Volume	8
Issue number	47
DOIs	https://doi.org/10.1039/C8RA03440K https://doi.org/10.1039/c8ra03440k
State	Published - 2018

Bibliographical note

Publisher Copyright:
© The Royal Society of Chemistry.

NREL Publication Number

NREL/JA-2C00-72259

Keywords

chemical shift
chemical stability
degradation
positive ions

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https://www.nrel.gov/docs/fy18osti/72259.pdf

Cite this

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title = "Relating Alkaline Stability to the Structure of Quaternary Phosphonium Cations",

abstract = "Alkali-stable quaternary phosphonium (QP) is a type of cationic group for hydroxide exchange membranes (HEMs). To elucidate the relationship between structure and alkaline stability, we investigated the kinetics and degradation mechanism of a series of QP cations by both experiment and computation, and established a semi-empirical formula based on the Taft equation to directly estimate alkaline stability of QP cations from the 31P NMR chemical shift δ and the steric substituent constant Es, facilitating the search for QP cations with improved alkaline stability.",

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doi = "10.1039/C8RA03440K",

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T1 - Relating Alkaline Stability to the Structure of Quaternary Phosphonium Cations

AU - Long, Hai

AU - Pivovar, Bryan

AU - Zhang, Bingzi

AU - Kaspar, Robert

AU - Wang, Junhua

AU - Gu, Shuang

AU - Zhuang, Zhongbin

AU - Yan, Yushan

N1 - Publisher Copyright: © The Royal Society of Chemistry.

PY - 2018

Y1 - 2018

N2 - Alkali-stable quaternary phosphonium (QP) is a type of cationic group for hydroxide exchange membranes (HEMs). To elucidate the relationship between structure and alkaline stability, we investigated the kinetics and degradation mechanism of a series of QP cations by both experiment and computation, and established a semi-empirical formula based on the Taft equation to directly estimate alkaline stability of QP cations from the 31P NMR chemical shift δ and the steric substituent constant Es, facilitating the search for QP cations with improved alkaline stability.

AB - Alkali-stable quaternary phosphonium (QP) is a type of cationic group for hydroxide exchange membranes (HEMs). To elucidate the relationship between structure and alkaline stability, we investigated the kinetics and degradation mechanism of a series of QP cations by both experiment and computation, and established a semi-empirical formula based on the Taft equation to directly estimate alkaline stability of QP cations from the 31P NMR chemical shift δ and the steric substituent constant Es, facilitating the search for QP cations with improved alkaline stability.

KW - chemical shift

KW - chemical stability

KW - degradation

KW - positive ions

UR - http://www.scopus.com/inward/record.url?scp=85050983361&partnerID=8YFLogxK

U2 - 10.1039/C8RA03440K

DO - 10.1039/C8RA03440K

M3 - Article

AN - SCOPUS:85050983361

SN - 2046-2069

VL - 8

SP - 26640

EP - 26645

JO - RSC Advances

JF - RSC Advances

IS - 47

ER -

Relating Alkaline Stability to the Structure of Quaternary Phosphonium Cations

Abstract

Bibliographical note

NREL Publication Number

Keywords

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