skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: BF 3 -promoted electrochemical properties of quinoxaline in propylene carbonate

Abstract

Electrochemical and density functional studies demonstrate that coordination of electrolyte constituents to quinoxalines modulates their electrochemical properties.

Authors:
 [1];  [2];  [2];  [3];  [3];  [1]
  1. Joint Center for Energy Storage Research; USA; Department of Chemical Engineering; Massachusetts Institute of Technology; Cambridge, USA
  2. Joint Center for Energy Storage Research; USA; Department of Chemistry; University of Illinois at Urbana Champaign; Urbana, USA
  3. Joint Center for Energy Storage Research; USA; Materials Science Division; Argonne National Laboratory; Argonne, USA
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science - Office of Basic Energy Sciences - Materials Sciences and Engineering Division
OSTI Identifier:
1392126
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
RSC Advances
Additional Journal Information:
Journal Volume: 5; Journal Issue: 24; Journal ID: ISSN 2046-2069
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English

Citation Formats

Carino, Emily V., Diesendruck, Charles E., Moore, Jeffrey S., Curtiss, Larry A., Assary, Rajeev S., and Brushett, Fikile R. BF 3 -promoted electrochemical properties of quinoxaline in propylene carbonate. United States: N. p., 2015. Web. doi:10.1039/c5ra00137d.
Carino, Emily V., Diesendruck, Charles E., Moore, Jeffrey S., Curtiss, Larry A., Assary, Rajeev S., & Brushett, Fikile R. BF 3 -promoted electrochemical properties of quinoxaline in propylene carbonate. United States. doi:10.1039/c5ra00137d.
Carino, Emily V., Diesendruck, Charles E., Moore, Jeffrey S., Curtiss, Larry A., Assary, Rajeev S., and Brushett, Fikile R. Thu . "BF 3 -promoted electrochemical properties of quinoxaline in propylene carbonate". United States. doi:10.1039/c5ra00137d.
@article{osti_1392126,
title = {BF 3 -promoted electrochemical properties of quinoxaline in propylene carbonate},
author = {Carino, Emily V. and Diesendruck, Charles E. and Moore, Jeffrey S. and Curtiss, Larry A. and Assary, Rajeev S. and Brushett, Fikile R.},
abstractNote = {Electrochemical and density functional studies demonstrate that coordination of electrolyte constituents to quinoxalines modulates their electrochemical properties.},
doi = {10.1039/c5ra00137d},
journal = {RSC Advances},
issn = {2046-2069},
number = 24,
volume = 5,
place = {United States},
year = {2015},
month = {1}
}

Works referenced in this record:

Single-Ion Solvation Free Energies and the Normal Hydrogen Electrode Potential in Methanol, Acetonitrile, and Dimethyl Sulfoxide
journal, January 2007

  • Kelly, Casey P.; Cramer, Christopher J.; Truhlar, Donald G.
  • The Journal of Physical Chemistry B, Vol. 111, Issue 2
  • DOI: 10.1021/jp065403l

Progress in Flow Battery Research and Development
journal, June 2011

  • Skyllas-Kazacos, M.; Chakrabarti, M. H.; Hajimolana, S. A.
  • Journal of The Electrochemical Society, Vol. 158, Issue 8, p. R55-R79
  • DOI: 10.1149/1.3599565

Oxidative Stability and Initial Decomposition Reactions of Carbonate, Sulfone, and Alkyl Phosphate-Based Electrolytes
journal, April 2013

  • Borodin, Oleg; Behl, Wishvender; Jow, T. Richard
  • The Journal of Physical Chemistry C, Vol. 117, Issue 17
  • DOI: 10.1021/jp400527c

Tailored redox functionality of small organics for pseudocapacitive electrodes
journal, January 2012

  • Burkhardt, Stephen E.; Lowe, Michael A.; Conte, Sean
  • Energy & Environmental Science, Vol. 5, Issue 5
  • DOI: 10.1039/c2ee21255b

Absolute Potential of the Standard Hydrogen Electrode and the Problem of Interconversion of Potentials in Different Solvents
journal, June 2010

  • Isse, Abdirisak A.; Gennaro, Armando
  • The Journal of Physical Chemistry B, Vol. 114, Issue 23
  • DOI: 10.1021/jp100402x

Computational Studies of Polysiloxanes: Oxidation Potentials and Decomposition Reactions
journal, May 2011

  • Assary, Rajeev S.; Curtiss, Larry A.; Redfern, Paul C.
  • The Journal of Physical Chemistry C, Vol. 115, Issue 24
  • DOI: 10.1021/jp2019796

Tribromo- and trifluoroborane adducts of some pyrazines
journal, February 1985


Electrochemical Energy Storage for Green Grid
journal, May 2011

  • Yang, Zhenguo; Zhang, Jianlu; Kintner-Meyer, Michael C. W.
  • Chemical Reviews, Vol. 111, Issue 5, p. 3577-3613
  • DOI: 10.1021/cr100290v

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

Recent Progress in Redox Flow Battery Research and Development
journal, September 2012

  • Wang, Wei; Luo, Qingtao; Li, Bin
  • Advanced Functional Materials, Vol. 23, Issue 8, p. 970-986
  • DOI: 10.1002/adfm.201200694

Photophysics and electrochemistry of quinoxaline chromophores decorated with thiophene or furane subunits
journal, June 2010

  • Angulo, Gonzalo; Dobkowski, Jacek; Kapturkiewicz, Andrzej
  • Journal of Photochemistry and Photobiology A: Chemistry, Vol. 213, Issue 2-3
  • DOI: 10.1016/j.jphotochem.2010.05.007

A Conceptual DFT Approach for the Evaluation and Interpretation of Redox Potentials
journal, October 2007

  • Moens, Jan; Geerlings, Paul; Roos, Goedele
  • Chemistry - A European Journal, Vol. 13, Issue 29
  • DOI: 10.1002/chem.200601896

Decomposition of LiPF[sub 6] and Stability of PF[sub 5] in Li-Ion Battery Electrolytes
journal, January 2003

  • Tasaki, Ken; Kanda, Katsuya; Nakamura, Shinichiro
  • Journal of The Electrochemical Society, Vol. 150, Issue 12
  • DOI: 10.1149/1.1622406

Calculations of Oxidation Potentials of Redox Shuttle Additives for Li-Ion Cells
journal, January 2006

  • Wang, R. L.; Buhrmester, Claudia; Dahn, J. R.
  • Journal of The Electrochemical Society, Vol. 153, Issue 2
  • DOI: 10.1149/1.2140613

Critical Evaluation of Implicit Solvent Models for Predicting Aqueous Oxidation Potentials of Neutral Organic Compounds
journal, October 2013

  • Guerard, Jennifer J.; Arey, J. Samuel
  • Journal of Chemical Theory and Computation, Vol. 9, Issue 11
  • DOI: 10.1021/ct4004433

Electrochemical Properties of an All-Organic Redox Flow Battery Using 2,2,6,6-Tetramethyl-1-Piperidinyloxy and N-Methylphthalimide
journal, January 2011

  • Li, Zhen; Li, Sha; Liu, Suqin
  • Electrochemical and Solid-State Letters, Vol. 14, Issue 12, p. A171-A173
  • DOI: 10.1149/2.012112esl

Increasing the Gravimetric Energy Density of Organic Based Secondary Battery Cathodes Using Small Radius Cations (Li + and Mg 2+ )
journal, September 2013

  • Hernández-Burgos, Kenneth; Rodríguez-Calero, Gabriel G.; Zhou, Weidong
  • Journal of the American Chemical Society, Vol. 135, Issue 39
  • DOI: 10.1021/ja407273c

Redox flow batteries a review
journal, September 2011

  • Weber, Adam Z.; Mench, Matthew M.; Meyers, Jeremy P.
  • Journal of Applied Electrochemistry, Vol. 41, Issue 10, p. 1137-1164
  • DOI: 10.1007/s10800-011-0348-2

A rechargeable redox battery utilizing ruthenium complexes with non-aqueous organic electrolyte
journal, November 1988

  • Matsuda, Y.; Tanaka, K.; Okada, M.
  • Journal of Applied Electrochemistry, Vol. 18, Issue 6, p. 909-914
  • DOI: 10.1007/BF01016050

The Lithium Fluoride Tetrafluoroborate Li 2 F[BF 4 ] : The Lithium Fluoride Tetrafluoroborate Li
journal, October 2013

  • Pilz, Thomas; Schleid, Thomas; Jansen, Martin
  • Zeitschrift für anorganische und allgemeine Chemie, Vol. 639, Issue 14
  • DOI: 10.1002/zaac.201300525

Density Functional Theory Study of the Role of Anions on the Oxidative Decomposition Reaction of Propylene Carbonate
journal, December 2011

  • Xing, Lidan; Borodin, Oleg; Smith, Grant D.
  • The Journal of Physical Chemistry A, Vol. 115, Issue 47
  • DOI: 10.1021/jp206153n

Electrical Energy Storage for the Grid: A Battery of Choices
journal, November 2011


Non-Aqueous Redox Flow Batteries with Nickel and Iron Tris(2,2ʹ-bipyridine) Complex Electrolyte
journal, January 2012

  • Mun, Junyoung; Lee, Myung-Jin; Park, Joung-Won
  • Electrochemical and Solid-State Letters, Vol. 15, Issue 6
  • DOI: 10.1149/2.033206esl

Additives for Stabilizing LiPF[sub 6]-Based Electrolytes Against Thermal Decomposition
journal, January 2005

  • Li, Wentao; Campion, Christopher; Lucht, Brett L.
  • Journal of The Electrochemical Society, Vol. 152, Issue 7
  • DOI: 10.1149/1.1926651

Cyclic voltammetry of some quinoxaline di-N-oxides and quinoxalines in dimethylformamide
journal, June 1992


Calculation of temporary anion states using density functional theory
journal, July 1999


Aqueous Solvation Free Energies of Ions and Ion−Water Clusters Based on an Accurate Value for the Absolute Aqueous Solvation Free Energy of the Proton
journal, August 2006

  • Kelly, Casey P.; Cramer, Christopher J.; Truhlar, Donald G.
  • The Journal of Physical Chemistry B, Vol. 110, Issue 32
  • DOI: 10.1021/jp063552y

Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries
journal, October 2004


Reduction Mechanisms of Ethylene, Propylene, and Vinylethylene Carbonates
journal, January 2004

  • Vollmer, James M.; Curtiss, Larry A.; Vissers, Donald R.
  • Journal of The Electrochemical Society, Vol. 151, Issue 1
  • DOI: 10.1149/1.1633765

A Thermal Stabilizer for LiPF[sub 6]-Based Electrolytes of Li-Ion Cells
journal, January 2002

  • Zhang, S. S.; Xu, K.; Jow, T. R.
  • Electrochemical and Solid-State Letters, Vol. 5, Issue 9
  • DOI: 10.1149/1.1499669

Non-aqueous vanadium acetylacetonate electrolyte for redox flow batteries
journal, December 2009

  • Liu, Qinghua; Sleightholme, Alice E. S.; Shinkle, Aaron A.
  • Electrochemistry Communications, Vol. 11, Issue 12, p. 2312-2315
  • DOI: 10.1016/j.elecom.2009.10.006

Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules
journal, March 2013

  • Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.
  • The Journal of Physical Chemistry C, Vol. 117, Issue 12
  • DOI: 10.1021/jp310555b

Surface-enhanced Raman spectra of quinoxaline adsorbed at a silver electrode
journal, January 1984


An All-Organic Non-aqueous Lithium-Ion Redox Flow Battery
journal, June 2012

  • Brushett, Fikile R.; Vaughey, John T.; Jansen, Andrew N.
  • Advanced Energy Materials, Vol. 2, Issue 11, p. 1390-1396
  • DOI: 10.1002/aenm.201200322

Oxidation induced decomposition of ethylene carbonate from DFT calculations – importance of explicitly treating surrounding solvent
journal, January 2012

  • Xing, Lidan; Borodin, Oleg
  • Physical Chemistry Chemical Physics, Vol. 14, Issue 37
  • DOI: 10.1039/c2cp41103b

A metal-free organic–inorganic aqueous flow battery
journal, January 2014

  • Huskinson, Brian; Marshak, Michael P.; Suh, Changwon
  • Nature, Vol. 505, Issue 7482, p. 195-198
  • DOI: 10.1038/nature12909

    Works referencing / citing this record:

    Crystal structure of 1,3-bis(2,3-dimethylquinoxalin-6-yl)benzene
    journal, November 2015

    • Diesendruck, Charles E.; Rubin, Gabrielle; Bertke, Jeffery A.
    • Acta Crystallographica Section E Crystallographic Communications, Vol. 71, Issue 12
    • DOI: 10.1107/s2056989015020435