Chemical Shifts of 14N in the NMR Spectra of Linear Triatomic Molecules and Ions

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Abstract
The nuclear magnetic resonances of 14N in a series of simple linear nitrogen‐containing molecules and ions have been determined by a consistent procedure, ClCN, BrCN, and NCSe− values being reported for the first time. The observed chemical shifts vary linearly over a considerable range of values with the pi‐electron densities previously calculated by a LCGO—MO method. The simple shielding theory of Karplus and Pople, which considers only the paramagnetic contribution, is capable of accounting for the observed chemical shifts of these compounds in a quite satisfactory manner.

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