Oxidation-Triggered Formation of Diradical Cations from Paramagnetic Molecules and Their Spin Density Evolution DOI Creative Commons
Di Wang, Dan Yao, Xinyu Li

et al.

Molecules, Journal Year: 2025, Volume and Issue: 30(9), P. 1931 - 1931

Published: April 26, 2025

Controllable intramolecular spin-polarized flow refers to the manipulation of electron transport within molecules through externally applied stimuli, thereby modulating their spin characteristics and magnetic properties. In this work, we designed synthesized four paramagnetic molecules, PDTN-NN, PDTN-IN, PO-NN, PO-IN, by introducing nitronyl nitroxide (NN) iminonitroxide (IN) radicals into phenothiazine phenoxazine frameworks. Remarkably, successfully generated corresponding radical-substituted radical cations (diradical cations) controlled density distributions (SDDs) redox stimuli. UV-Vis absorption spectroscopy, cyclic voltammetry (CV), resonance (EPR), functional theory (DFT) were employed confirm formation diradical during processes. Furthermore, EPR spectroscopy DFT calculations also provide clear evidence coupling in cations.

Language: Английский

Oxidation-Triggered Formation of Diradical Cations from Paramagnetic Molecules and Their Spin Density Evolution DOI Creative Commons
Di Wang, Dan Yao, Xinyu Li

et al.

Molecules, Journal Year: 2025, Volume and Issue: 30(9), P. 1931 - 1931

Published: April 26, 2025

Controllable intramolecular spin-polarized flow refers to the manipulation of electron transport within molecules through externally applied stimuli, thereby modulating their spin characteristics and magnetic properties. In this work, we designed synthesized four paramagnetic molecules, PDTN-NN, PDTN-IN, PO-NN, PO-IN, by introducing nitronyl nitroxide (NN) iminonitroxide (IN) radicals into phenothiazine phenoxazine frameworks. Remarkably, successfully generated corresponding radical-substituted radical cations (diradical cations) controlled density distributions (SDDs) redox stimuli. UV-Vis absorption spectroscopy, cyclic voltammetry (CV), resonance (EPR), functional theory (DFT) were employed confirm formation diradical during processes. Furthermore, EPR spectroscopy DFT calculations also provide clear evidence coupling in cations.

Language: Английский

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