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The Spin Chemistry of Nitroxide-Based Organic Biradicals: EPR Data and Computational Experiments

The Spin Chemistry of Nitroxide-Based Organic Biradicals: EPR Data and Computational Experiments

Fanica Cimpoesu, Maria-Cristina Buta, Ana Maria Toader, Gabriela Ionita
Copyright: © 2023 |Pages: 32
ISBN13: 9781668471982|ISBN10: 1668471981|ISBN13 Softcover: 9781668471999|EISBN13: 9781668472002
DOI: 10.4018/978-1-6684-7198-2.ch005
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MLA

Cimpoesu, Fanica, et al. "The Spin Chemistry of Nitroxide-Based Organic Biradicals: EPR Data and Computational Experiments." Fundamental and Biomedical Aspects of Redox Processes, edited by Gheorghe Duca and Ashok Vaseashta, IGI Global, 2023, pp. 111-142. https://doi.org/10.4018/978-1-6684-7198-2.ch005

APA

Cimpoesu, F., Buta, M., Toader, A. M., & Ionita, G. (2023). The Spin Chemistry of Nitroxide-Based Organic Biradicals: EPR Data and Computational Experiments. In G. Duca & A. Vaseashta (Eds.), Fundamental and Biomedical Aspects of Redox Processes (pp. 111-142). IGI Global. https://doi.org/10.4018/978-1-6684-7198-2.ch005

Chicago

Cimpoesu, Fanica, et al. "The Spin Chemistry of Nitroxide-Based Organic Biradicals: EPR Data and Computational Experiments." In Fundamental and Biomedical Aspects of Redox Processes, edited by Gheorghe Duca and Ashok Vaseashta, 111-142. Hershey, PA: IGI Global, 2023. https://doi.org/10.4018/978-1-6684-7198-2.ch005

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Abstract

The electronic spin has a crucial importance in life chemistry, although relatively rarely encountered in several processes, while the vast majority of organic molecules (including the biological systems) are based on closed-shell spinless configurations. To advocate for the incidence of the spin it is suggestive to point out that the oxygen molecule, O2, the fuel in the quasi-totality of organisms, has a spin-triplet ground state and all the processes triggered by respiration are including, then, spin interactions. In the investigation of subtle spin-related molecular and supramolecular interactions, a wise technique consists in introducing stable open-shell organic radicals as “spies” of a given environment, under electronic paramagnetic resonance measurements. The nitroxide-based spin carriers are frequently used as spin probes, the TEMPO group, (2,2,6,6-Tetramethylpiperidin-1-yl)-oxyl, being the most widely used in this view. Here the authors illustrate a case study on a series of nitroxide-based biradicals, corroborating the EPR measurements with state-of-the-art modeling.

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