skip to main content

SciTech ConnectSciTech Connect

Title: Theoretical estimates of the anapole magnetizabilities of C{sub 4}H{sub 4}X{sub 2} cyclic molecules for X=O, S, Se, and Te

Calculations have been carried out for C{sub 4}H{sub 4}X{sub 2} 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{sub αβ}, defined as minus the second derivative of the second-order interaction energy with respect to the components C{sub α} and B{sub β}. The average anapole magnetizability a{sup ¯} equals −χ{sup ¯}, the pseudoscalar obtained by spatial averaging of the dipole-quadrupole magnetizability χ{sub α,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 A{sub α}, having the same magnitude, but opposite sign, for two enantiomorphs.
Authors:
;  [1] ;  [2] ; ;  [3]
  1. Departamento de Física, Facultad de Ciencias Exactas y Naturales, and IFIBA, CONICET, Universidad de Buenos Aires, Ciudad Universitaria, Pab. I, (1428) Buenos Aires (Argentina)
  2. Departamento de Física, Northeastern University, Av. Libertad 5500, W3400 AAS, Corrientes (Argentina)
  3. Dipartimento di Chimica, Università degli Studi di Modena e Reggio Emilia, via G. Campi 183, 41100 Modena (Italy)
Publication Date:
OSTI Identifier:
22419860
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 9; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CHIRALITY; DIPOLES; ELECTRONS; ENANTIOMORPHS; INTERACTIONS; MAGNETIC FIELDS; MOLECULES; TENSORS