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...

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Detalles Bibliográficos
Autores: Paniagua, Juan Carlos, Mugnaini, Verónica, Gabellieri, Cristina, Feliz Rodenas, Miguel, Roques, Nans, Veciana, Jaume, Pons Vallès, Miquel
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)
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oai_identifier_str oai:diposit.ub.edu:2445/47985
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repository_id_str
spelling Polychlorinated trityl radicals for dynamic nuclear polarization: the role of chlorine nucleiPaniagua, Juan CarlosMugnaini, VerónicaGabellieri, CristinaFeliz Rodenas, MiguelRoques, NansVeciana, JaumePons Vallès, MiquelRessonància magnètica nuclearCamps magnèticsPolarització (Física nuclear)NanomedicinaMatèria condensadaClorSolubilitatAiguaRadicals (Química)Nuclear magnetic resonanceMagnetic fieldsPolarization (Nuclear physics)NanomedicineCondensed matterChlorineSolubilityWaterRadicals (Chemistry)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.Royal Society of Chemistry2010info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionapplication/pdfhttps://hdl.handle.net/2445/47985Articles publicats en revistes (Química Inorgànica i Orgànica)reponame:Dipòsit Digital de la UBinstname:Universidad de BarcelonaInglésVersió postprint del document publicat a: http://dx.doi.org/: 10.1039/C003291NPhysical Chemistry Chemical Physics, 2010, vol. 12, p. 5824-5829http://dx.doi.org/10.1039/C003291N(c) Paniagua, Juan Carlos et al., 2010info:eu-repo/semantics/openAccessoai:diposit.ub.edu:2445/479852026-05-27T06:46:51Z
dc.title.none.fl_str_mv Polychlorinated trityl radicals for dynamic nuclear polarization: the role of chlorine nuclei
title Polychlorinated trityl radicals for dynamic nuclear polarization: the role of chlorine nuclei
spellingShingle Polychlorinated trityl radicals for dynamic nuclear polarization: the role of chlorine nuclei
Paniagua, Juan Carlos
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)
title_short Polychlorinated trityl radicals for dynamic nuclear polarization: the role of chlorine nuclei
title_full Polychlorinated trityl radicals for dynamic nuclear polarization: the role of chlorine nuclei
title_fullStr Polychlorinated trityl radicals for dynamic nuclear polarization: the role of chlorine nuclei
title_full_unstemmed Polychlorinated trityl radicals for dynamic nuclear polarization: the role of chlorine nuclei
title_sort Polychlorinated trityl radicals for dynamic nuclear polarization: the role of chlorine nuclei
dc.creator.none.fl_str_mv Paniagua, Juan Carlos
Mugnaini, Verónica
Gabellieri, Cristina
Feliz Rodenas, Miguel
Roques, Nans
Veciana, Jaume
Pons Vallès, Miquel
author Paniagua, Juan Carlos
author_facet Paniagua, Juan Carlos
Mugnaini, Verónica
Gabellieri, Cristina
Feliz Rodenas, Miguel
Roques, Nans
Veciana, Jaume
Pons Vallès, Miquel
author_role author
author2 Mugnaini, Verónica
Gabellieri, Cristina
Feliz Rodenas, Miguel
Roques, Nans
Veciana, Jaume
Pons Vallès, Miquel
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv 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)
topic 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)
description 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.
publishDate 2010
dc.date.none.fl_str_mv 2010
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/47985
url https://hdl.handle.net/2445/47985
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Versió postprint del document publicat a: http://dx.doi.org/: 10.1039/C003291N
Physical Chemistry Chemical Physics, 2010, vol. 12, p. 5824-5829
http://dx.doi.org/10.1039/C003291N
dc.rights.none.fl_str_mv (c) Paniagua, Juan Carlos et al., 2010
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) Paniagua, Juan Carlos et al., 2010
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
dc.source.none.fl_str_mv Articles publicats en revistes (Química Inorgànica i Orgànica)
reponame:Dipòsit Digital de la UB
instname:Universidad de Barcelona
instname_str Universidad de Barcelona
reponame_str Dipòsit Digital de la UB
collection Dipòsit Digital de la UB
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869415437845921792
score 15.300724

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