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
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.