| Abstract: | Preparation and Crystal Structure of the Tetramethylammonium Thiocyanate Sulfur Dioxide Adduct, (CH3)4N+SCN– · SO2 Tetramethylammonium thiocyanate reacts with sulfur dioxide under formation of tetramethylammonium thiocyanate sulfur dioxide adduct. The resulting salt is characterised by NMR and vibrational spectroscopy and its crystal structure. (CH3)4N+SCN– · SO2 crystallizes in the monoclinic space group P21/c with a = 578.4(1) pm, b = 1634.3(1) pm, c = 1054.6(1) pm, β = 105.17(1)°, and four formula units in the unit cell. The crystal structure possesses a strong S–S interaction between the NCS– anion and the SO2 molecule. The NCS–SO2 distance of 301.02(9) pm is longer than a covalent single bond, thus the compound is rather described as an adduct. The structure is compared with ab initio calculated data. |
