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

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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 o...

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Autores principales:	Pagola, Gabriel Ignacio, Ferraro, Marta Beatriz
Publicado:	2014
Materias:	Enantiomers Magnetic fields Magnetic susceptibility Molecules Co-ordinate system Diatomic and linear triatomic molecules Homogeneous magnetic field Induced magnetic dipoles Interaction energies Isotropic chiral medium Nonuniform magnetic fields Response properties Stereochemistry
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10895639_v118_n33_p6333_Provasi http://hdl.handle.net/20.500.12110/paper_10895639_v118_n33_p6333_Provasi
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	paper:paper_10895639_v118_n33_p6333_Provasi
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spelling	paper:paper_10895639_v118_n33_p6333_Provasi2025-07-30T18:42:23Z Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field Pagola, Gabriel Ignacio Ferraro, Marta Beatriz Enantiomers Magnetic fields Magnetic susceptibility Molecules Co-ordinate system Diatomic and linear triatomic molecules Homogeneous magnetic field Induced magnetic dipoles Interaction energies Isotropic chiral medium Nonuniform magnetic fields Response properties Stereochemistry 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. © 2013 American Chemical Society. Fil:Pagola, G.I. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Ferraro, M.B. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2014 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10895639_v118_n33_p6333_Provasi http://hdl.handle.net/20.500.12110/paper_10895639_v118_n33_p6333_Provasi
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Enantiomers Magnetic fields Magnetic susceptibility Molecules Co-ordinate system Diatomic and linear triatomic molecules Homogeneous magnetic field Induced magnetic dipoles Interaction energies Isotropic chiral medium Nonuniform magnetic fields Response properties Stereochemistry
spellingShingle	Enantiomers Magnetic fields Magnetic susceptibility Molecules Co-ordinate system Diatomic and linear triatomic molecules Homogeneous magnetic field Induced magnetic dipoles Interaction energies Isotropic chiral medium Nonuniform magnetic fields Response properties Stereochemistry Pagola, Gabriel Ignacio Ferraro, Marta Beatriz Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field
topic_facet	Enantiomers Magnetic fields Magnetic susceptibility Molecules Co-ordinate system Diatomic and linear triatomic molecules Homogeneous magnetic field Induced magnetic dipoles Interaction energies Isotropic chiral medium Nonuniform magnetic fields Response properties Stereochemistry
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. © 2013 American Chemical Society.
author	Pagola, Gabriel Ignacio Ferraro, Marta Beatriz
author_facet	Pagola, Gabriel Ignacio Ferraro, Marta Beatriz
author_sort	Pagola, Gabriel Ignacio
title	Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field
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
publishDate	2014
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10895639_v118_n33_p6333_Provasi http://hdl.handle.net/20.500.12110/paper_10895639_v118_n33_p6333_Provasi
work_keys_str_mv	AT pagolagabrielignacio magnetizabilitiesofdiatomicandlineartriatomicmoleculesinatimeindependentnonuniformmagneticfield AT ferraromartabeatriz magnetizabilitiesofdiatomicandlineartriatomicmoleculesinatimeindependentnonuniformmagneticfield
_version_	1840323866882211840

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

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