Issue 73, 2015

How does relativity affect magnetically induced currents?

Abstract

Magnetically induced probability currents in molecules are studied in relativistic theory. Spin–orbit coupling (SOC) enhances the curvature and gives rise to a previously unobserved current cusp in AuH or small bulge-like distortions in HgH2 at the proton positions. The origin of this curvature is magnetically induced spin-density arising from SOC in the relativistic description.

Graphical abstract: How does relativity affect magnetically induced currents?

Supplementary files

Article information

Article type
Communication
Submitted
10 Jul 2015
Accepted
22 Jul 2015
First published
23 Jul 2015
This article is Open Access
Creative Commons BY license

Chem. Commun., 2015,51, 13961-13963

How does relativity affect magnetically induced currents?

R. J. F. Berger, M. Repisky and S. Komorovsky, Chem. Commun., 2015, 51, 13961 DOI: 10.1039/C5CC05732A

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