Polychlorinated trityl radicals for dynamic nuclear polarization: the role of chlorine nuclei
Polychlorinated trityl radicals bearing carboxylate substituents are water soluble persistent radicals that can be used for dynamic nuclear polarization. In contrast to other trityl radicals, the polarization mechanism differs from the classical solid effect. DFT calculations performed to rationaliz...
| Autores: | , , , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión aceptada para publicación |
| Fecha de publicación: | 2010 |
| País: | España |
| Institución: | Universidad de Barcelona |
| Repositorio: | Dipòsit Digital de la UB |
| OAI Identifier: | oai:diposit.ub.edu:2445/47985 |
| Acceso en línea: | https://hdl.handle.net/2445/47985 |
| Access Level: | acceso abierto |
| Palabra clave: | Ressonància magnètica nuclear Camps magnètics Polarització (Física nuclear) Nanomedicina Matèria condensada Clor Solubilitat Aigua Radicals (Química) Nuclear magnetic resonance Magnetic fields Polarization (Nuclear physics) Nanomedicine Condensed matter Chlorine Solubility Water Radicals (Chemistry) |
| Sumario: | Polychlorinated trityl radicals bearing carboxylate substituents are water soluble persistent radicals that can be used for dynamic nuclear polarization. In contrast to other trityl radicals, the polarization mechanism differs from the classical solid effect. DFT calculations performed to rationalize this behaviour support the hypothesis that polarization is transferred from the unpaired electron to chlorine nuclei and from these to carbon by spin diffusion. The marked differences observed between neutral and anionic forms of the radical will be discussed. |
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