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Title: Relating alkaline stability to the structure of quaternary phosphonium cations

A semi-empirical formula based on the Taft equation is established to directly estimate alkaline stability of quaternary phosphonium (QP) cations from the 31 P NMR chemical shift δ and the steric substituent constant E s .
Authors:
 [1] ; ORCiD logo [2] ;  [1] ;  [1] ;  [3] ; ORCiD logo [4] ;  [2] ; ORCiD logo [5]
  1. Univ. of Delaware, Newark, DE (United States). Dept. of Chemical and Biomolecular Engineering
  2. National Renewable Energy Lab. (NREL), Golden, CO (United States)
  3. Wichita State Univ., Wichita, KS (United States). Dept. of Mechanical Engineering
  4. Beijing Univ. of Chemical Technology, Beijing (China). State Key Lab. of Organic–Inorganic Composites; Beijing Univ. of Chemical Technology, Beijing (China). Beijing Advanced Innovation Center for Soft Matter Science and Engineering
  5. Univ. of Delaware, Newark, DE (United States). Dept. of Chemical and Biomolecular Engineering; Beijing Univ. of Chemical Technology, Beijing (China). State Key Lab. of Organic–Inorganic Composites; Beijing Univ. of Chemical Technology, Beijing (China). Beijing Advanced Innovation Center for Soft Matter Science and Engineering
Publication Date:
Report Number(s):
NREL/JA-2C00-72259
Journal ID: ISSN 2046-2069; RSCACL
Grant/Contract Number:
AC36-08GO28308
Type:
Published Article
Journal Name:
RSC Advances
Additional Journal Information:
Journal Volume: 8; Journal Issue: 47; Journal ID: ISSN 2046-2069
Publisher:
Royal Society of Chemistry
Research Org:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org:
USDOE Advanced Research Projects Agency - Energy (ARPA-E)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; chemical shift; chemical stability; degradation; positive ions
OSTI Identifier:
1461587
Alternate Identifier(s):
OSTI ID: 1467553

Zhang, Bingzi, Long, Hai, Kaspar, Robert B., Wang, Junhua, Gu, Shuang, Zhuang, Zhongbin, Pivovar, Bryan, and Yan, Yushan. Relating alkaline stability to the structure of quaternary phosphonium cations. United States: N. p., Web. doi:10.1039/C8RA03440K.
Zhang, Bingzi, Long, Hai, Kaspar, Robert B., Wang, Junhua, Gu, Shuang, Zhuang, Zhongbin, Pivovar, Bryan, & Yan, Yushan. Relating alkaline stability to the structure of quaternary phosphonium cations. United States. doi:10.1039/C8RA03440K.
Zhang, Bingzi, Long, Hai, Kaspar, Robert B., Wang, Junhua, Gu, Shuang, Zhuang, Zhongbin, Pivovar, Bryan, and Yan, Yushan. 2018. "Relating alkaline stability to the structure of quaternary phosphonium cations". United States. doi:10.1039/C8RA03440K.
@article{osti_1461587,
title = {Relating alkaline stability to the structure of quaternary phosphonium cations},
author = {Zhang, Bingzi and Long, Hai and Kaspar, Robert B. and Wang, Junhua and Gu, Shuang and Zhuang, Zhongbin and Pivovar, Bryan and Yan, Yushan},
abstractNote = {A semi-empirical formula based on the Taft equation is established to directly estimate alkaline stability of quaternary phosphonium (QP) cations from the 31 P NMR chemical shift δ and the steric substituent constant E s .},
doi = {10.1039/C8RA03440K},
journal = {RSC Advances},
number = 47,
volume = 8,
place = {United States},
year = {2018},
month = {7}
}

Works referenced in this record:

Density‐functional thermochemistry. III. The role of exact exchange
journal, April 1993
  • Becke, Axel D.
  • The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652
  • DOI: 10.1063/1.464913

Prospects for Alkaline Anion-Exchange Membranes in Low Temperature Fuel Cells
journal, October 2004

Ion exchange membranes State of their development and perspective
journal, October 2005

Anion exchange membranes: Current status and moving forward
journal, October 2013
  • Hickner, Michael A.; Herring, Andrew M.; Coughlin, E. Bryan
  • Journal of Polymer Science Part B: Polymer Physics, Vol. 51, Issue 24, p. 1727-1735
  • DOI: 10.1002/polb.23395

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
journal, May 2009
  • Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
  • The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396
  • DOI: 10.1021/jp810292n

Anion-exchange membranes in electrochemical energy systems
journal, January 2014
  • Varcoe, John R.; Atanassov, Plamen; Dekel, Dario R.
  • Energy & Environmental Science, Vol. 7, Issue 10, p. 3135-3191
  • DOI: 10.1039/C4EE01303D

A Soluble and Highly Conductive Ionomer for High-Performance Hydroxide Exchange Membrane Fuel Cells
journal, August 2009
  • Gu, Shuang; Cai, Rui; Luo, Ting
  • Angewandte Chemie International Edition, Vol. 48, Issue 35, p. 6499-6502
  • DOI: 10.1002/anie.200806299

Alkaline polymer electrolyte fuel cells completely free from noble metal catalysts
journal, December 2008
  • Lu, S.; Pan, J.; Huang, A.
  • Proceedings of the National Academy of Sciences, Vol. 105, Issue 52, p. 20611-20614
  • DOI: 10.1073/pnas.0810041106