Splitting water deuteron quadrupole

As shown in Figure 10 the water deuteron quadrupole splitting increases with increasing electrolyte concentration. This may well fit with the model discussed above if the postulated conformation change of the polar head groups consists of a stretching out of the choline groups away... 

Figure 10. Water deuteron quadrupole splitting as a function of sodium chloride concentration for the same samples as in Figure 8...

Vaara and Pyykko presented a theory for the magnetic-field-dependent quadrupole splitting in the Xe NMR spectra in isotropic media and tested it by ab initio electronic structure calculations. Evidence exists only for even-power magnetic field dependence. The dominant mechanism is verified to be the electric field gradient caused by the diamagnetic distortion of the atomic electron cloud, quadratic in the magnetic field. NQCC for diatomic molecules were calculated by Bryce and Wasylishen. Turner et al performed a systematic computational study of the geometrical dependence of the deuteron quadrupole interaction parameters (DQCC and asymmetry parameter) for the water-formaldehyde model system. Bematowicz and Szymanski studied NMR spectra of a spin nucleus scalar coupled to two equivalent spin-1 nuclei... 

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