A Combined Experimental and Theoretical Study of ESR Hyperfine Coupling Constants for <i>N,N,N’,N’</i>-Tetrasubstituted <i>p</i>-Phenylenediamine Radical Cations

A Combined Experimental and Theoretical Study of ESR Hyperfine Coupling Constants for <i>N,N,N’,N’</i>-Tetrasubstituted <i>p</i>-Phenylenediamine Radical Cations

A test set of <i>N,N,N’,N’</i>-tetrasubstituted <i>p</i>-phenylenediamines are experimentally explored using ESR (electron spin resonance) spectroscopy and analysed from a computational standpoint thereafter. This computational study aims to further aid structural characteris...

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Bibliographic Details
Main Authors: Ronan Gleeson, Cecilie L. Andersen, Peter Rapta, Peter Machata, Jørn B. Christensen, Ole Hammerich, Stephan P. A. Sauer
Format: Article
Language:English
Published: MDPI AG 2023-02-01
Series:International Journal of Molecular Sciences
Subjects:
ESR
organic radicals
DFT
J-augmented basis sets
Online Access:https://www.mdpi.com/1422-0067/24/4/3447

Internet

https://www.mdpi.com/1422-0067/24/4/3447

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