14N Chemical Shifts and Quadrupole Coupling Constants of Inorganic Nitrates

Study of Oxygen−Nitrogen Replacement in BaTiO3 by 14N Solid-State Nuclear Magnetic Resonance

“…The coupling of this quadrupole moment to the electronic surroundings dominates the appearance of solid-state 14 N-NMR spectra, broadening the resonance lines for compounds where the nitrogen nuclei experience a low-symmetry environment. Only for substances where the quadrupolar coupling constant χ = ( e 2 qQ / h ) is relatively small can 14 N-NMR spectra be easily recorded. − For a highly symmetric environment (e.g., the unit cells of cubic barium titanate), the quadrupolar coupling vanishes altogether, and only a single sharp line is expected in the spectrum. This allows to evaluate the symmetry of the N 3- surroundings by acquisition of 14 N-NMR spectra.…”

14N and 45Sc NMR study of trimetallic nitride cluster (M3N)6+ dynamics inside a icosahedral C80 cage

“…15 This value is comparable with other symmetric sp 2 N atom hybridizd systems (e.g., the nitrate ion) where it has been reported that the quadruploar couplings range from 0.5-1 MHz. 21 In similar fashion to the 45 Sc NMR results, the 14 N NMR linewidth at various temperatures can be fitted to yield the activation energy barriers, E a = 75, 122, and 186 meV for the series M 3 N@I h -C 80 , M = Sc, Y and Lu, respectively in 1,2-dichlorobenzene-d 4 (Table 1). It should be noted that the internal barrier to rotation has been computationally studied by several groups.…”

Direct detection of nitrogen-14 in solid-state NMR spectroscopy

“…4 MHz. These spectra were compared with simulations, which revealed that the CN − ions predominantly align along the [100], [010] and [001] crystallographic axes (i.e., pointing towards the surrounding alkali ions), with an angular dispersion of ca. 8°.…”