Reduction potential predictions of some aromatic nitrogen-containing molecules

Assary, Rajeev S.; Brushett, Fikile R.; Curtiss, Larry A.

doi:10.1039/C4RA08563A

Title: Reduction potential predictions of some aromatic nitrogen-containing molecules

Journal Article · Wed Jan 01 00:00:00 EST 2014 · RSC Advances

DOI:https://doi.org/10.1039/C4RA08563A· OSTI ID:1396025

Assary, Rajeev S. ^[1]; Brushett, Fikile R. ^[2]; Curtiss, Larry A. ^[1]

Joint Center for Energy Storage Research; Argonne National Laboratories; Argonne, USA; Materials Science Division; Argonne National Laboratory
Joint Center for Energy Storage Research; Argonne National Laboratories; Argonne, USA; Department of Chemical Engineering; Massachusetts Institute of Technology

A descriptive relationship for computing reduction potentials of selected aromatic nitrogen-containing molecules is developed from their computed orbital energies.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science - Office of Basic Energy Sciences - Materials Sciences and Engineering Division; USDOE Office of Science - Office of Basic Energy Sciences - Joint Center for Energy Storage Research (JCESR)

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 1396025

Journal Information:: RSC Advances, Vol. 4, Issue 101; ISSN 2046-2069

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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Title: Reduction potential predictions of some aromatic nitrogen-containing molecules

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