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Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te

Articolo
Data di Pubblicazione:
2014
Citazione:
Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te / G. I., Pagola; M. B., Ferraro; P. F., Provasi; S., Pelloni; Lazzeretti, Paolo. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 141:9(2014), pp. 094305-1-094305-7. [10.1063/1.4893991]
Abstract:
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 a αβ, defined as minus the second derivative of the second-order interaction energy with respect to the components C α and B β. 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.
Tipologia CRIS:
Articolo su rivista
Keywords:
LEVEL-CORRELATED CALCULATIONS; POLARIZED BASIS-SETS,; NONUNIFORM MAGNETIC-FIELD; GAUSSIAN-BASIS SETS; PARITY NONCONSERVATION
Elenco autori:
G. I., Pagola; M. B., Ferraro; P. F., Provasi; S., Pelloni; Lazzeretti, Paolo
Autori di Ateneo:
LAZZERETTI Paolo
Link alla scheda completa:
https://iris.unimore.it/handle/11380/1047514
Pubblicato in:
THE JOURNAL OF CHEMICAL PHYSICS
Journal
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