Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field

Autores
Provasi, Patricio Federico; Pagola, Gabriel Ignacio; Ferraro, Marta Beatriz; Pelloni, Stefano; Lazzeretti, Paolo
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The theory of response of a molecule in the presence of a static nonuniform magnetic field with uniform gradient is reviewed and extended. Induced magnetic dipole, quadrupole, and anapole moments are expressed via multipole magnetic susceptibilities. Dependence of response properties on the origin of the coordinate system with respect to which they are defined is investigated. Relationships describing the change of multipole and anapole susceptibilities in a translation of the reference system are reported. For a single molecule, two quantities are invariant and, in principle, experimentally measurable, that is, the induced magnetic dipole and the interaction energy. The trace of a second-rank anapole susceptibility, related to a pseudoscalar obtained by spatial averaging of the dipole?quadrupole susceptibility, of different sign for D and L enantiomeric systems, is origin independent. Therefore, in an isotropic chiral medium a homogeneous magnetic field induces an electronic anapole, having the same magnitude but opposite sign for two enantiomorphs. Calculations have been carried out for a set of diatomic and linear triatomic systems characterized by the presence of magnetic-field induced toroidal electron currents.
Fil: Provasi, Patricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Modelado e Innovación Tecnológica. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Modelado e Innovación Tecnologica; Argentina
Fil: Pagola, Gabriel Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina
Fil: Ferraro, Marta Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina
Fil: Pelloni, Stefano. Università degli Studi di Modena e Reggio Emilia; Italia
Fil: Lazzeretti, Paolo. Università degli Studi di Modena e Reggio Emilia; Italia
Materia
Magnetizability
Magnetic Anapole
Linear Molecules
Enantiometric Recognition
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:11336/16178
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic fieldProvasi, Patricio FedericoPagola, Gabriel IgnacioFerraro, Marta BeatrizPelloni, StefanoLazzeretti, PaoloMagnetizabilityMagnetic AnapoleLinear MoleculesEnantiometric Recognitionhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The theory of response of a molecule in the presence of a static nonuniform magnetic field with uniform gradient is reviewed and extended. Induced magnetic dipole, quadrupole, and anapole moments are expressed via multipole magnetic susceptibilities. Dependence of response properties on the origin of the coordinate system with respect to which they are defined is investigated. Relationships describing the change of multipole and anapole susceptibilities in a translation of the reference system are reported. For a single molecule, two quantities are invariant and, in principle, experimentally measurable, that is, the induced magnetic dipole and the interaction energy. The trace of a second-rank anapole susceptibility, related to a pseudoscalar obtained by spatial averaging of the dipole?quadrupole susceptibility, of different sign for D and L enantiomeric systems, is origin independent. Therefore, in an isotropic chiral medium a homogeneous magnetic field induces an electronic anapole, having the same magnitude but opposite sign for two enantiomorphs. Calculations have been carried out for a set of diatomic and linear triatomic systems characterized by the presence of magnetic-field induced toroidal electron currents.Fil: Provasi, Patricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Modelado e Innovación Tecnológica. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Modelado e Innovación Tecnologica; ArgentinaFil: Pagola, Gabriel Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; ArgentinaFil: Ferraro, Marta Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; ArgentinaFil: Pelloni, Stefano. Università degli Studi di Modena e Reggio Emilia; ItaliaFil: Lazzeretti, Paolo. Università degli Studi di Modena e Reggio Emilia; ItaliaAmerican Chemical Society2014-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/16178Provasi, Patricio Federico; Pagola, Gabriel Ignacio; Ferraro, Marta Beatriz; Pelloni, Stefano; Lazzeretti, Paolo; Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field; American Chemical Society; Journal Of Physical Chemistry A; 118; 33; 8-2014; 6333-63421089-5639enginfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/jp408969kinfo:eu-repo/semantics/altIdentifier/doi/10.1021/jp408969kinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:41:30Zoai:ri.conicet.gov.ar:11336/16178instacron: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 14:41:31.029CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field
title Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field
spellingShingle Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field
Provasi, Patricio Federico
Magnetizability
Magnetic Anapole
Linear Molecules
Enantiometric Recognition
title_short Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field
title_full Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field
title_fullStr Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field
title_full_unstemmed Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field
title_sort Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field
dc.creator.none.fl_str_mv Provasi, Patricio Federico
Pagola, Gabriel Ignacio
Ferraro, Marta Beatriz
Pelloni, Stefano
Lazzeretti, Paolo
author Provasi, Patricio Federico
author_facet Provasi, Patricio Federico
Pagola, Gabriel Ignacio
Ferraro, Marta Beatriz
Pelloni, Stefano
Lazzeretti, Paolo
author_role author
author2 Pagola, Gabriel Ignacio
Ferraro, Marta Beatriz
Pelloni, Stefano
Lazzeretti, Paolo
author2_role author
author
author
author
dc.subject.none.fl_str_mv Magnetizability
Magnetic Anapole
Linear Molecules
Enantiometric Recognition
topic Magnetizability
Magnetic Anapole
Linear Molecules
Enantiometric Recognition
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The theory of response of a molecule in the presence of a static nonuniform magnetic field with uniform gradient is reviewed and extended. Induced magnetic dipole, quadrupole, and anapole moments are expressed via multipole magnetic susceptibilities. Dependence of response properties on the origin of the coordinate system with respect to which they are defined is investigated. Relationships describing the change of multipole and anapole susceptibilities in a translation of the reference system are reported. For a single molecule, two quantities are invariant and, in principle, experimentally measurable, that is, the induced magnetic dipole and the interaction energy. The trace of a second-rank anapole susceptibility, related to a pseudoscalar obtained by spatial averaging of the dipole?quadrupole susceptibility, of different sign for D and L enantiomeric systems, is origin independent. Therefore, in an isotropic chiral medium a homogeneous magnetic field induces an electronic anapole, having the same magnitude but opposite sign for two enantiomorphs. Calculations have been carried out for a set of diatomic and linear triatomic systems characterized by the presence of magnetic-field induced toroidal electron currents.
Fil: Provasi, Patricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Modelado e Innovación Tecnológica. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Modelado e Innovación Tecnologica; Argentina
Fil: Pagola, Gabriel Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina
Fil: Ferraro, Marta Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina
Fil: Pelloni, Stefano. Università degli Studi di Modena e Reggio Emilia; Italia
Fil: Lazzeretti, Paolo. Università degli Studi di Modena e Reggio Emilia; Italia
description The theory of response of a molecule in the presence of a static nonuniform magnetic field with uniform gradient is reviewed and extended. Induced magnetic dipole, quadrupole, and anapole moments are expressed via multipole magnetic susceptibilities. Dependence of response properties on the origin of the coordinate system with respect to which they are defined is investigated. Relationships describing the change of multipole and anapole susceptibilities in a translation of the reference system are reported. For a single molecule, two quantities are invariant and, in principle, experimentally measurable, that is, the induced magnetic dipole and the interaction energy. The trace of a second-rank anapole susceptibility, related to a pseudoscalar obtained by spatial averaging of the dipole?quadrupole susceptibility, of different sign for D and L enantiomeric systems, is origin independent. Therefore, in an isotropic chiral medium a homogeneous magnetic field induces an electronic anapole, having the same magnitude but opposite sign for two enantiomorphs. Calculations have been carried out for a set of diatomic and linear triatomic systems characterized by the presence of magnetic-field induced toroidal electron currents.
publishDate 2014
dc.date.none.fl_str_mv 2014-08
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/11336/16178
Provasi, Patricio Federico; Pagola, Gabriel Ignacio; Ferraro, Marta Beatriz; Pelloni, Stefano; Lazzeretti, Paolo; Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field; American Chemical Society; Journal Of Physical Chemistry A; 118; 33; 8-2014; 6333-6342
1089-5639
url http://hdl.handle.net/11336/16178
identifier_str_mv Provasi, Patricio Federico; Pagola, Gabriel Ignacio; Ferraro, Marta Beatriz; Pelloni, Stefano; Lazzeretti, Paolo; Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field; American Chemical Society; Journal Of Physical Chemistry A; 118; 33; 8-2014; 6333-6342
1089-5639
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/jp408969k
info:eu-repo/semantics/altIdentifier/doi/10.1021/jp408969k
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
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
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

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