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; P. LAZZERETTI

JOURNAL OF CHEMICAL PHYSICS

AMER INST PHYSICS

Lugar: New York; Año: 2014 vol. 141 p. 94305 - 94305

0021-9606

The orbital anapole induced in the electron cloud of a molecule by a static nonuniform magnetic 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 -, the pseudoscalar obtained by spatial averaging of the dipole-quadrupole magnetizability α,βγ. It has diferent sign for D and L enantiomeric systems. 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. Calculations have been carried out for C4H4X2 cyclic molecules, with X=O, S, Se, ad Te, characterized by the presence of magnetic-field induced toroidal electron currents and associated orbital anapole moments.