Dimer of the DPPH Stable Radical

Although the DPPH (2,2-diphenyl-1-(2,4,6-trinitrophenyl)-hydrazyl) radical is known for its indefinite stability, both in solid and in solution, and therefore no dimerization reaction occurs, the DPPH-dimer has been obtained by an alternative synthesis. Oxidation of the DPPH-dimer led to the corresponding DPPH-diradical, practically exhibiting all of the known properties of the simple DPPH radical. The structures were confirmed using <sup>1</sup>H and <sup>13</sup>C NMR, IR, UV-vis, HR-MS, and electron spin resonance (for the diradical) analyses. Additionally, cyclic voltammetry and superconducting quantum interference device (SQUID) measurements were performed to investigate the electrochemical and magnetic properties of the DPPH-diradical. DFT calculations revealed that the ground state was an open-shell singlet. The diradical character <i>y</i> of the ground state and vertical S-T gap were 0.279 and -5.81 kcal mol<sup>-1</sup>, respectively.

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Publication Details

Journal
ACS Omega
Published
2025-08-10
DOI
https://doi.org/10.1021/acsomega.5c05905
Citations
2
Primary Topic
Electron Spin Resonance Studies
Type
article
Field-Weighted Citation Impact
3.27

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article

Dimer of the DPPH Stable Radical

Nicuşor Iacob, Augustin M. Mădălan, V. Kuncser, Adela F. Dobre et al.
2 citations
ACS Omega
Electron Spin Resonance Studies
3.27
article

Dimer of the DPPH Stable Radical

Nicuşor Iacob, Augustin M. Mădălan, V. Kuncser, Adela F. Dobre, Petre Ioniță, Makoto Harada, Cecilia Lete, Gabriela Ioniță, Yasutaka Kitagawa
article en
2 citations

Abstract

Although the DPPH (2,2-diphenyl-1-(2,4,6-trinitrophenyl)-hydrazyl) radical is known for its indefinite stability, both in solid and in solution, and therefore no dimerization reaction occurs, the DPPH-dimer has been obtained by an alternative synthesis. Oxidation of the DPPH-dimer led to the corresponding DPPH-diradical, practically exhibiting all of the known properties of the simple DPPH radical. The structures were confirmed using <sup>1</sup>H and <sup>13</sup>C NMR, IR, UV-vis, HR-MS, and electron spin resonance (for the diradical) analyses. Additionally, cyclic voltammetry and superconducting quantum interference device (SQUID) measurements were performed to investigate the electrochemical and magnetic properties of the DPPH-diradical. DFT calculations revealed that the ground state was an open-shell singlet. The diradical character <i>y</i> of the ground state and vertical S-T gap were 0.279 and -5.81 kcal mol<sup>-1</sup>, respectively.

ACS OmegaVol. 10(32)
University of Bucharest (RO), Osaka University of Economics (JP), National Institute of Materials Physics (RO), The University of Osaka (JP)
Ministerul Cercetării, Inovării şi Digitalizării, Unitatea Executiva pentru Finantarea Invatamantului Superior, a Cercetarii, Dezvoltarii si Inovarii, Japan Society for the Promotion of Science
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Openalex Percentile: Top 7%
Electron Spin Resonance Studies
3.27
DOIOpen Access PDFOpenAlex
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Dimer of the DPPH Stable Radical — Nicuşor Iacob, Augustin M. Mădălan, et al. · ACS Omega (2025) | TGRS Research Map | TGRS