Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te
- Autores
- Pagola, Gabriel Ignacio; Ferraro, Marta Beatriz; Provasi, Patricio Federico; Pelloni, Stefano; Lazzeretti, Paolo
- Año de publicación
- 2014
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- Calculations have been carried out for C4H4X2 cyclic molecules, with X=O, S, Se, and Te, characterized by the presence of magnetic-field induced toroidal electron currents and associated orbital anapole moments. The orbital anapole induced by a static nonuniform magnetic field B, with uniform curl C =∇× B, is rationalized via a second-rank anapole magnetizability tensor aαβ , defined as minus the second derivative of the second-order interaction energy with respect to the components Cα and Bβ. The average anapole magnetizability a equals −χ, the pseudoscalar obtained by spatial averaging of the dipole-quadrupole magnetizability χα,βγ . It has different sign for D and L enantiomeric systems and can therefore be used for chiral discrimination. Therefore, in an isotropic chiral medium, a homogeneous magnetic field induces an electronic anapole Aα, having the same magnitude, but opposite sign, for two enantiomorphs.
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: 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: Pelloni, Stefano. Universidad de Modena y Reggio Emilia. Departamento de Química; Italia
Fil: Lazzeretti, Paolo. Universidad de Modena y Reggio Emilia. Departamento de Química; Italia; Italia - Materia
-
CHIRAL DISCRIMINATION
ANAPOLE MAGNETIZABILITY - 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:11336/16068
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Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and TePagola, Gabriel IgnacioFerraro, Marta BeatrizProvasi, Patricio FedericoPelloni, StefanoLazzeretti, PaoloCHIRAL DISCRIMINATIONANAPOLE MAGNETIZABILITYhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Calculations have been carried out for C4H4X2 cyclic molecules, with X=O, S, Se, and Te, characterized by the presence of magnetic-field induced toroidal electron currents and associated orbital anapole moments. The orbital anapole induced by a static nonuniform magnetic field B, with uniform curl C =∇× B, is rationalized via a second-rank anapole magnetizability tensor aαβ , defined as minus the second derivative of the second-order interaction energy with respect to the components Cα and Bβ. The average anapole magnetizability a equals −χ, the pseudoscalar obtained by spatial averaging of the dipole-quadrupole magnetizability χα,βγ . It has different sign for D and L enantiomeric systems and can therefore be used for chiral discrimination. Therefore, in an isotropic chiral medium, a homogeneous magnetic field induces an electronic anapole Aα, having the same magnitude, but opposite sign, for two enantiomorphs.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; 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: 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: Pelloni, Stefano. Universidad de Modena y Reggio Emilia. Departamento de Química; ItaliaFil: Lazzeretti, Paolo. Universidad de Modena y Reggio Emilia. Departamento de Química; Italia; ItaliaAmerican Institute Of Physics2014-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/16068Pagola, Gabriel Ignacio; Ferraro, Marta Beatriz; Provasi, Patricio Federico; Pelloni, Stefano; Lazzeretti, Paolo; Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te; American Institute Of Physics; Journal Of Chemical Physics; 141; 9; 9-2014; 43051-430570021-9606enginfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.4893991info:eu-repo/semantics/altIdentifier/url/http://aip.scitation.org/doi/10.1063/1.4893991info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:45:34Zoai:ri.conicet.gov.ar:11336/16068instacron: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:34982025-09-29 09:45:34.616CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te |
title |
Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te |
spellingShingle |
Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te Pagola, Gabriel Ignacio CHIRAL DISCRIMINATION ANAPOLE MAGNETIZABILITY |
title_short |
Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te |
title_full |
Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te |
title_fullStr |
Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te |
title_full_unstemmed |
Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te |
title_sort |
Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te |
dc.creator.none.fl_str_mv |
Pagola, Gabriel Ignacio Ferraro, Marta Beatriz Provasi, Patricio Federico Pelloni, Stefano Lazzeretti, Paolo |
author |
Pagola, Gabriel Ignacio |
author_facet |
Pagola, Gabriel Ignacio Ferraro, Marta Beatriz Provasi, Patricio Federico Pelloni, Stefano Lazzeretti, Paolo |
author_role |
author |
author2 |
Ferraro, Marta Beatriz Provasi, Patricio Federico Pelloni, Stefano Lazzeretti, Paolo |
author2_role |
author author author author |
dc.subject.none.fl_str_mv |
CHIRAL DISCRIMINATION ANAPOLE MAGNETIZABILITY |
topic |
CHIRAL DISCRIMINATION ANAPOLE MAGNETIZABILITY |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 |
dc.description.none.fl_txt_mv |
Calculations have been carried out for C4H4X2 cyclic molecules, with X=O, S, Se, and Te, characterized by the presence of magnetic-field induced toroidal electron currents and associated orbital anapole moments. The orbital anapole induced by a static nonuniform magnetic field B, with uniform curl C =∇× B, is rationalized via a second-rank anapole magnetizability tensor aαβ , defined as minus the second derivative of the second-order interaction energy with respect to the components Cα and Bβ. The average anapole magnetizability a equals −χ, the pseudoscalar obtained by spatial averaging of the dipole-quadrupole magnetizability χα,βγ . It has different sign for D and L enantiomeric systems and can therefore be used for chiral discrimination. Therefore, in an isotropic chiral medium, a homogeneous magnetic field induces an electronic anapole Aα, having the same magnitude, but opposite sign, for two enantiomorphs. 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: 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: Pelloni, Stefano. Universidad de Modena y Reggio Emilia. Departamento de Química; Italia Fil: Lazzeretti, Paolo. Universidad de Modena y Reggio Emilia. Departamento de Química; Italia; Italia |
description |
Calculations have been carried out for C4H4X2 cyclic molecules, with X=O, S, Se, and Te, characterized by the presence of magnetic-field induced toroidal electron currents and associated orbital anapole moments. The orbital anapole induced by a static nonuniform magnetic field B, with uniform curl C =∇× B, is rationalized via a second-rank anapole magnetizability tensor aαβ , defined as minus the second derivative of the second-order interaction energy with respect to the components Cα and Bβ. The average anapole magnetizability a equals −χ, the pseudoscalar obtained by spatial averaging of the dipole-quadrupole magnetizability χα,βγ . It has different sign for D and L enantiomeric systems and can therefore be used for chiral discrimination. Therefore, in an isotropic chiral medium, a homogeneous magnetic field induces an electronic anapole Aα, having the same magnitude, but opposite sign, for two enantiomorphs. |
publishDate |
2014 |
dc.date.none.fl_str_mv |
2014-09 |
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/11336/16068 Pagola, Gabriel Ignacio; Ferraro, Marta Beatriz; Provasi, Patricio Federico; Pelloni, Stefano; Lazzeretti, Paolo; Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te; American Institute Of Physics; Journal Of Chemical Physics; 141; 9; 9-2014; 43051-43057 0021-9606 |
url |
http://hdl.handle.net/11336/16068 |
identifier_str_mv |
Pagola, Gabriel Ignacio; Ferraro, Marta Beatriz; Provasi, Patricio Federico; Pelloni, Stefano; Lazzeretti, Paolo; Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te; American Institute Of Physics; Journal Of Chemical Physics; 141; 9; 9-2014; 43051-43057 0021-9606 |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4893991 info:eu-repo/semantics/altIdentifier/url/http://aip.scitation.org/doi/10.1063/1.4893991 |
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 application/pdf |
dc.publisher.none.fl_str_mv |
American Institute Of Physics |
publisher.none.fl_str_mv |
American Institute Of Physics |
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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1844613427648004096 |
score |
13.070432 |