Determination of the (Na+) Sternheimer antishielding factor by 23Na NMR spectroscopy on sodium oxide chloride, Na3OCl.
The (Na+) Sternheimer antishielding factor gammainifinity (Na+) was determined by 23Na NMR spectroscopy on sodium oxide-chloride, Na3OCl. The quadrupolar coupling constant of the sodium ion in Na3OCI was determined to QCC = 11.34 MHz, which presents the largest coupling constant of a sodium nucleus observed so far. Applying a simple point charge model, the largest principal value of the electric field gradient at the sodium site was calculated to V(zz) = -6.76762 x 10(20) V/m2. From these values we calculated the (Na+) Sternheimer antishielding factor to gammainifinity (Na+)= -5.36. In sodium oxide, Na2O, we observed an isotropic chemical shift of deltaCS = 55.1 ppm, referenced to 1 M aqueous NaCI (delta = 0 ppm).
Klösters
G
G
Institut für Anorganische Chemie der Universität Bonn, Germany.
Jansen
M
M
D002712:Chlorides / Q000737:chemistry*; D003461:Crystallography; D004563:Electrochemistry; D009682:Magnetic Resonance Spectroscopy / Q000379:methods* / Q000706:statistics & numerical data; D010087:Oxides / Q000737:chemistry*; D017670:Sodium Compounds / Q000737:chemistry*
D002712:Chlorides; D010087:Oxides; D017670:Sodium Compounds; C096707:sodium oxide