Journal article

Effect of magnetic anisotropy on direct chiral discrimination in paramagnetic NMR spectroscopy

Simone Calvello, Alessandro Soncini

Physical Chemistry Chemical Physics | ROYAL SOC CHEMISTRY | Published : 2020


We present and analyse a complete analytic expression for the generalized shielding polarizability third-rank tensor Φαβγ, whose isotropic average, the pseudoscalar [capital Phi, Greek, macron], is proportional to a chiral macroscopic electric polarization P measurable in a pulsed nuclear magnetic resonance (NMR) experiment probing molecules with an arbitrarily degenerate ground state, in solution. We have recently predicted that [capital Phi, Greek, macron] can be measurable at room temperature in chiral paramagnetic molecules, and identified strong magnetic anistropy (as featured e.g. in lanthanide complexes) as a crucial molecular property to achieve room temperature chiral discrimination..

View full abstract


Awarded by Australian Research Council

Funding Acknowledgements

S. C. thankfully acknowledges support from an Australian Government Research Training Program Scholarship, a Honorary Fellowship from the University of Melbourne and a Postdoctoral Research Fellowship from the University of Melbourne and the Australian Nuclear Science and Technology Organization, A. S. acknowledges support from the Australian Research Council through a Future Fellowship, No. FT180100519.