A 13C and 15N nuclear magnetic resonance study of solid ammonium thiocyanate

The static 13 C nmr powder pattern for solid ammonium thiocyanate is analyzed to obtain the 13 C chemical shielding anisotropy, 321 ± 7 ppm, and the 13 C- 14 N dipolar splitting, 1295 ± 25 Hz. Slow magic angle spinning 15 N nmr experiments are analyzed to obtain a nitrogen chemical shielding anisotropy of 415 ± 15 ppm. The 13 C- 14 N dipolar splitting leads to an effective CN bond length of 1.19 ± 0.01 Å, in good agreement with the value of 1.176 Å reported from accurate X-ray and neutron crystallographic studies. In solid NH 4 NCS absolute values of the average shielding constants and ct are 52 and 34 ppm, respectively. Comparison of calculated and observed values indicates that intermolecular interactions decrease the 13 C and 15 N shielding constants by approximately 10 and 30 ppm, respectively.