Calculation of some nitrogen nuclear screening constants

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Abstract
Some nitrogen screening constants and their anisotropies are calculated within the CNDO/S level of approximation. Satisfactory agreement is found with available experimental data in most cases. In general the reported results are in closer agreement with experiment than are those found from ab initio calculations. The calculated data for the isoelectronic molecules N2O and CH2N2 would be in better agreement with experiment if the assignments of the two nitrogen nuclei were reversed in both cases. A reasonable correlation is obtained with some observed nitrogen chemical shifts. Contributions arising from electronic transitions are reported for N2, HCN, CH3CN, CH3NC, NO2+ and NO2−.