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Abstract:

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.

Registro:

Documento: Artículo
Título:Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field
Autor:Provasi, P.F.; Pagola, G.I.; Ferraro, M.B.; Pelloni, S.; Lazzeretti, P.
Filiación:Departamento de Física, Northeastern University, Avenida Libertad 5500, W3400 AAS, Corrientes, Argentina
Departamento de Física, Facultad de Ciencias Exactas y Naturales, Ciudad Universitaria, Pab. I, (1428) Buenos Aires, Argentina
Dipartimento di Chimica, Università Degli Studi di Modena e Reggio Emilia, via G. Campi 183, 41100 Modena, Italy
Palabras clave: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
Año:2014
Volumen:118
Número:33
Página de inicio:6333
Página de fin:6342
DOI: http://dx.doi.org/10.1021/jp408969k
Título revista:Journal of Physical Chemistry A
Título revista abreviado:J Phys Chem A
ISSN:10895639
CODEN:JPCAF
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10895639_v118_n33_p6333_Provasi

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Citas:

---------- APA ----------
Provasi, P.F., Pagola, G.I., Ferraro, M.B., Pelloni, S. & Lazzeretti, P. (2014) . Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field. Journal of Physical Chemistry A, 118(33), 6333-6342.
http://dx.doi.org/10.1021/jp408969k
---------- CHICAGO ----------
Provasi, P.F., Pagola, G.I., Ferraro, M.B., Pelloni, S., Lazzeretti, P. "Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field" . Journal of Physical Chemistry A 118, no. 33 (2014) : 6333-6342.
http://dx.doi.org/10.1021/jp408969k
---------- MLA ----------
Provasi, P.F., Pagola, G.I., Ferraro, M.B., Pelloni, S., Lazzeretti, P. "Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field" . Journal of Physical Chemistry A, vol. 118, no. 33, 2014, pp. 6333-6342.
http://dx.doi.org/10.1021/jp408969k
---------- VANCOUVER ----------
Provasi, P.F., Pagola, G.I., Ferraro, M.B., Pelloni, S., Lazzeretti, P. Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field. J Phys Chem A. 2014;118(33):6333-6342.
http://dx.doi.org/10.1021/jp408969k