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.
- ROTATIONAL SPECTROSCOPY, GAS-PHASE, IDENTIFICATION, MIXTURES, CIF
Domene Nunez, C., Fowler, P. W., & Legon, A. C. (1999). 14N electric field gradient in trimethylamine complexes as a diagnostic for formation of ion pairs. Chemical Physics Letters, 309(5-6), 463-470. https://doi.org/10.1016/S0009-2614(99)00736-8