Author/Authors :
Domene، نويسنده , , C. and Fowler، نويسنده , , P.W. and Legon، نويسنده , , A.C.، نويسنده ,
Abstract :
Electric field gradients at N and Cl nuclei are calculated as functions of separation in ion-pair and neutral-monomer models of (CH3)3N/F2 and (CH3)3N/ClF. Comparison of the predictions with the previously measured nuclear quadrupole coupling constants for these complexes supports the attribution of significant ion-pair character to both species.