INVESTIGADORES
PROVASI patricio Federico
artículos
Título:
Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te
Autor/es:
G. I. PAGOLA; M. B. FERRARO; P.F. PROVASI; S. PELLONI; P. LAZZERETTI
Revista:
JOURNAL OF CHEMICAL PHYSICS
Editorial:
AMER INST PHYSICS
Referencias:
Lugar: New York; Año: 2014 vol. 141
ISSN:
0021-9606
Resumen:
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.