Abstract
Nitroxides are a class of molecules that exhibit a wide range of chemical properties, the most significant and useful of which is their stability as radical species. This radical stability has been utilised for a wide range of chemical applications, including nitroxide-mediated polymerisations, as fluorescent probes, and in electron paramagnetic resonance spectroscopy. They are also able to undergo reversible oxidation and reduction, which has been harnessed in batteries, solar cells, synthesis and even as medicinal antioxidants. The many and various properties of nitroxides and their applications have been explored throughout this book; this chapter will focus primarily on the methods and considerations for simulating their properties and reactivity.
Original language | English |
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Title of host publication | Nitroxides |
Subtitle of host publication | Synthesis, properties and applications |
Editors | Olivier Ouari, Didier Gigmes |
Place of Publication | Cambridge |
Publisher | Royal Society Chemistry |
Chapter | 6 |
Pages | 213-262 |
Number of pages | 50 |
ISBN (Electronic) | 9781788019651, 9781788019668 |
ISBN (Print) | 9781788017527 |
Publication status | Published - 2021 |
Externally published | Yes |
Keywords
- Commputation
- Tools
- Nitroxide
- Design