J. Mag. Reson. 206, 274279 (2010)

DOI: 10.1016/j.jmr.2010.07.015

15N-15N spin-spin coupling constants through intermolecular hydrogen bonds in the solid state

2hJNN intermolecular spin–spin coupling constant (SSCC) of 10.2 ± 0.4 Hz has been measured for the powdered tetrachlorogallate salt of pyridinium solvated by pyridine (pyridine–H+⋯pyridine cation 3). Density Functional Theory (DFT) calculations at the B3LYP/6-311++G(d, p) level reproduced this value and two others reported in the literature for 2hJ intermolecular SSCCs, which were measured for complexes in solution.