Ring currents modulate optoelectronic properties of aromatic chromophores at 25 T

Autores
Kudisch, Bryan; Maiuri, Margherita; Moretti, Luca; Oviedo, María Belén; Wang, Leon; Oblinsky, Daniel G.; Prud'homme, Robert K.; Wong, Bryan M.; McGill, Stephen A.; Scholes, Gregory D.
Año de publicación
2020
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The properties of organic molecules can be influenced by magnetic fields, and these magnetic field effects are diverse. They range from inducing nuclear Zeeman splitting for structural determination in NMR spectroscopy to polaron Zeeman splitting organic spintronics and organic magnetoresistance. A pervasive magnetic field effect on an aromatic molecule is the aromatic ring current, which can be thought of as an induction of a circular current of π-electrons upon the application of a magnetic field perpendicular to the π-system of the molecule. While in NMR spectroscopy the effects of ring currents on the chemical shifts of nearby protons are relatively well understood, and even predictable, the consequences of these modified electronic states on the spectroscopy of molecules has remained unknown. In this work, we find that photophysical properties of model phthalocyanine compounds and their aggregates display clear magnetic field dependences up to 25 T, with the aggregates showing more drastic magnetic field sensitivities depending on the intermolecular interactions with the amplification of ring currents in stacked aggregates. These observations are consistent with ring currents measured in NMR spectroscopy and simulated in time-dependent density functional theory calculations of magnetic field-dependent phthalocyanine monomer and dimer absorption spectra. We propose that ring currents in organic semiconductors, which commonly comprise aromatic moieties, may present new opportunities for the understanding and exploitation of combined optical, electronic, and magnetic properties.
Fil: Kudisch, Bryan. University of Princeton; Estados Unidos
Fil: Maiuri, Margherita. University of Princeton; Estados Unidos. Politecnico di Milano; Italia
Fil: Moretti, Luca. University of Princeton; Estados Unidos. Politecnico di Milano; Italia
Fil: Oviedo, María Belén. University of Princeton; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina. Universidad Nacional de Córdoba. Facultad de Cs.químicas. Departamento de Química Teórica y Computacional; Argentina
Fil: Wang, Leon. University of Princeton; Estados Unidos
Fil: Oblinsky, Daniel G.. University of Princeton; Estados Unidos
Fil: Prud'homme, Robert K.. University of Princeton; Estados Unidos
Fil: Wong, Bryan M.. University Of California Riverside; Estados Unidos
Fil: McGill, Stephen A.. National High Magnetic Field Laboratory; Estados Unidos
Fil: Scholes, Gregory D.. University of Princeton; Estados Unidos
Materia
AROMATIC RING CURRENTS
MAGNETIC FIELDS
ULTRAFAST SPECTROSCOPY
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/141958

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network_name_str CONICET Digital (CONICET)
spelling Ring currents modulate optoelectronic properties of aromatic chromophores at 25 TKudisch, BryanMaiuri, MargheritaMoretti, LucaOviedo, María BelénWang, LeonOblinsky, Daniel G.Prud'homme, Robert K.Wong, Bryan M.McGill, Stephen A.Scholes, Gregory D.AROMATIC RING CURRENTSMAGNETIC FIELDSULTRAFAST SPECTROSCOPYhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The properties of organic molecules can be influenced by magnetic fields, and these magnetic field effects are diverse. They range from inducing nuclear Zeeman splitting for structural determination in NMR spectroscopy to polaron Zeeman splitting organic spintronics and organic magnetoresistance. A pervasive magnetic field effect on an aromatic molecule is the aromatic ring current, which can be thought of as an induction of a circular current of π-electrons upon the application of a magnetic field perpendicular to the π-system of the molecule. While in NMR spectroscopy the effects of ring currents on the chemical shifts of nearby protons are relatively well understood, and even predictable, the consequences of these modified electronic states on the spectroscopy of molecules has remained unknown. In this work, we find that photophysical properties of model phthalocyanine compounds and their aggregates display clear magnetic field dependences up to 25 T, with the aggregates showing more drastic magnetic field sensitivities depending on the intermolecular interactions with the amplification of ring currents in stacked aggregates. These observations are consistent with ring currents measured in NMR spectroscopy and simulated in time-dependent density functional theory calculations of magnetic field-dependent phthalocyanine monomer and dimer absorption spectra. We propose that ring currents in organic semiconductors, which commonly comprise aromatic moieties, may present new opportunities for the understanding and exploitation of combined optical, electronic, and magnetic properties.Fil: Kudisch, Bryan. University of Princeton; Estados UnidosFil: Maiuri, Margherita. University of Princeton; Estados Unidos. Politecnico di Milano; ItaliaFil: Moretti, Luca. University of Princeton; Estados Unidos. Politecnico di Milano; ItaliaFil: Oviedo, María Belén. University of Princeton; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina. Universidad Nacional de Córdoba. Facultad de Cs.químicas. Departamento de Química Teórica y Computacional; ArgentinaFil: Wang, Leon. University of Princeton; Estados UnidosFil: Oblinsky, Daniel G.. University of Princeton; Estados UnidosFil: Prud'homme, Robert K.. University of Princeton; Estados UnidosFil: Wong, Bryan M.. University Of California Riverside; Estados UnidosFil: McGill, Stephen A.. National High Magnetic Field Laboratory; Estados UnidosFil: Scholes, Gregory D.. University of Princeton; Estados UnidosNational Academy of Sciences2020-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/141958Kudisch, Bryan; Maiuri, Margherita; Moretti, Luca; Oviedo, María Belén; Wang, Leon; et al.; Ring currents modulate optoelectronic properties of aromatic chromophores at 25 T; National Academy of Sciences; Proceedings of the National Academy of Sciences of The United States of America; 117; 21; 5-2020; 11289-112980027-84241091-6490CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://www.pnas.org/lookup/doi/10.1073/pnas.1918148117info:eu-repo/semantics/altIdentifier/doi/10.1073/pnas.1918148117info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:52:30Zoai:ri.conicet.gov.ar:11336/141958instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-15 14:52:31.263CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Ring currents modulate optoelectronic properties of aromatic chromophores at 25 T
title Ring currents modulate optoelectronic properties of aromatic chromophores at 25 T
spellingShingle Ring currents modulate optoelectronic properties of aromatic chromophores at 25 T
Kudisch, Bryan
AROMATIC RING CURRENTS
MAGNETIC FIELDS
ULTRAFAST SPECTROSCOPY
title_short Ring currents modulate optoelectronic properties of aromatic chromophores at 25 T
title_full Ring currents modulate optoelectronic properties of aromatic chromophores at 25 T
title_fullStr Ring currents modulate optoelectronic properties of aromatic chromophores at 25 T
title_full_unstemmed Ring currents modulate optoelectronic properties of aromatic chromophores at 25 T
title_sort Ring currents modulate optoelectronic properties of aromatic chromophores at 25 T
dc.creator.none.fl_str_mv Kudisch, Bryan
Maiuri, Margherita
Moretti, Luca
Oviedo, María Belén
Wang, Leon
Oblinsky, Daniel G.
Prud'homme, Robert K.
Wong, Bryan M.
McGill, Stephen A.
Scholes, Gregory D.
author Kudisch, Bryan
author_facet Kudisch, Bryan
Maiuri, Margherita
Moretti, Luca
Oviedo, María Belén
Wang, Leon
Oblinsky, Daniel G.
Prud'homme, Robert K.
Wong, Bryan M.
McGill, Stephen A.
Scholes, Gregory D.
author_role author
author2 Maiuri, Margherita
Moretti, Luca
Oviedo, María Belén
Wang, Leon
Oblinsky, Daniel G.
Prud'homme, Robert K.
Wong, Bryan M.
McGill, Stephen A.
Scholes, Gregory D.
author2_role author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv AROMATIC RING CURRENTS
MAGNETIC FIELDS
ULTRAFAST SPECTROSCOPY
topic AROMATIC RING CURRENTS
MAGNETIC FIELDS
ULTRAFAST SPECTROSCOPY
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The properties of organic molecules can be influenced by magnetic fields, and these magnetic field effects are diverse. They range from inducing nuclear Zeeman splitting for structural determination in NMR spectroscopy to polaron Zeeman splitting organic spintronics and organic magnetoresistance. A pervasive magnetic field effect on an aromatic molecule is the aromatic ring current, which can be thought of as an induction of a circular current of π-electrons upon the application of a magnetic field perpendicular to the π-system of the molecule. While in NMR spectroscopy the effects of ring currents on the chemical shifts of nearby protons are relatively well understood, and even predictable, the consequences of these modified electronic states on the spectroscopy of molecules has remained unknown. In this work, we find that photophysical properties of model phthalocyanine compounds and their aggregates display clear magnetic field dependences up to 25 T, with the aggregates showing more drastic magnetic field sensitivities depending on the intermolecular interactions with the amplification of ring currents in stacked aggregates. These observations are consistent with ring currents measured in NMR spectroscopy and simulated in time-dependent density functional theory calculations of magnetic field-dependent phthalocyanine monomer and dimer absorption spectra. We propose that ring currents in organic semiconductors, which commonly comprise aromatic moieties, may present new opportunities for the understanding and exploitation of combined optical, electronic, and magnetic properties.
Fil: Kudisch, Bryan. University of Princeton; Estados Unidos
Fil: Maiuri, Margherita. University of Princeton; Estados Unidos. Politecnico di Milano; Italia
Fil: Moretti, Luca. University of Princeton; Estados Unidos. Politecnico di Milano; Italia
Fil: Oviedo, María Belén. University of Princeton; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina. Universidad Nacional de Córdoba. Facultad de Cs.químicas. Departamento de Química Teórica y Computacional; Argentina
Fil: Wang, Leon. University of Princeton; Estados Unidos
Fil: Oblinsky, Daniel G.. University of Princeton; Estados Unidos
Fil: Prud'homme, Robert K.. University of Princeton; Estados Unidos
Fil: Wong, Bryan M.. University Of California Riverside; Estados Unidos
Fil: McGill, Stephen A.. National High Magnetic Field Laboratory; Estados Unidos
Fil: Scholes, Gregory D.. University of Princeton; Estados Unidos
description The properties of organic molecules can be influenced by magnetic fields, and these magnetic field effects are diverse. They range from inducing nuclear Zeeman splitting for structural determination in NMR spectroscopy to polaron Zeeman splitting organic spintronics and organic magnetoresistance. A pervasive magnetic field effect on an aromatic molecule is the aromatic ring current, which can be thought of as an induction of a circular current of π-electrons upon the application of a magnetic field perpendicular to the π-system of the molecule. While in NMR spectroscopy the effects of ring currents on the chemical shifts of nearby protons are relatively well understood, and even predictable, the consequences of these modified electronic states on the spectroscopy of molecules has remained unknown. In this work, we find that photophysical properties of model phthalocyanine compounds and their aggregates display clear magnetic field dependences up to 25 T, with the aggregates showing more drastic magnetic field sensitivities depending on the intermolecular interactions with the amplification of ring currents in stacked aggregates. These observations are consistent with ring currents measured in NMR spectroscopy and simulated in time-dependent density functional theory calculations of magnetic field-dependent phthalocyanine monomer and dimer absorption spectra. We propose that ring currents in organic semiconductors, which commonly comprise aromatic moieties, may present new opportunities for the understanding and exploitation of combined optical, electronic, and magnetic properties.
publishDate 2020
dc.date.none.fl_str_mv 2020-05
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/141958
Kudisch, Bryan; Maiuri, Margherita; Moretti, Luca; Oviedo, María Belén; Wang, Leon; et al.; Ring currents modulate optoelectronic properties of aromatic chromophores at 25 T; National Academy of Sciences; Proceedings of the National Academy of Sciences of The United States of America; 117; 21; 5-2020; 11289-11298
0027-8424
1091-6490
CONICET Digital
CONICET
url http://hdl.handle.net/11336/141958
identifier_str_mv Kudisch, Bryan; Maiuri, Margherita; Moretti, Luca; Oviedo, María Belén; Wang, Leon; et al.; Ring currents modulate optoelectronic properties of aromatic chromophores at 25 T; National Academy of Sciences; Proceedings of the National Academy of Sciences of The United States of America; 117; 21; 5-2020; 11289-11298
0027-8424
1091-6490
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://www.pnas.org/lookup/doi/10.1073/pnas.1918148117
info:eu-repo/semantics/altIdentifier/doi/10.1073/pnas.1918148117
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv National Academy of Sciences
publisher.none.fl_str_mv National Academy of Sciences
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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