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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/141958
Ver los metadatos del registro completo
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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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score |
13.22299 |