Issue 14, 2015

Engineering of unsubstituted quinoid-like frameworks enabling 2 V vs. Li+/Li redox voltage tunability and related derivatives

Abstract

A criterion for redox voltage tuning (0.96–2.96 V vs. Li+/Li) was derived from DFT calculations on quinoneazine and analogues (C/O replacing N). As rationalized through spin–charge distributions and energetic criteria, high–low voltage implying a bridge with delocalized–localized bond nature mainly originates from ring stabilization. Established guidelines serve to propose optimal derivatives.

Graphical abstract: Engineering of unsubstituted quinoid-like frameworks enabling 2 V vs. Li+/Li redox voltage tunability and related derivatives

Supplementary files

Article information

Article type
Communication
Submitted
21 Dec 2014
Accepted
23 Feb 2015
First published
24 Feb 2015

Phys. Chem. Chem. Phys., 2015,17, 8604-8608

Engineering of unsubstituted quinoid-like frameworks enabling 2 V vs. Li+/Li redox voltage tunability and related derivatives

D. Tomerini, C. Gatti and C. Frayret, Phys. Chem. Chem. Phys., 2015, 17, 8604 DOI: 10.1039/C4CP05998K

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