Abstract
2,3,5-Triphenyltetrazolium hexachlorophosphate, [C 19 H 15 N 4 ] + [PCl 6 ] − , [TPT] + [PCl 6 ] − (1), and 2,3,5-triphenyltetrazolium dichlorophosphate(V), [C 19 H 15 N 4 ] + [PO 2 Cl 2 ] − , [TPT] + [PO 2 Cl 2 ] − (2), were synthesized by reactions of anhydrous 2,3,5-triphenyltetrazolium chloride, [TPT] + Cl − , and 2,3,5-triphenyltetrazolium chloride monohydrate [TPT] + Cl− ・H 2 O, with PCl 5 in dry acetonitrile, and their crystal structures were determined by single-crystal X-ray diffraction analysis. In the title compounds, the [TPT] + cations show a face-to-face stacked orientation between the phenyl rings of neighboring molecules, which is caused by intermolecular π ・ ・ ・π interactions. The crystal structure of compound 1 consists of layers of 2,3,5-triphenyltetrazolium cations and hexachlorophosphate anions. In compound 2 the tetrahedral [PO 2 Cl 2 ] − anions exhibit approximate C 2v symmetry with P-O bond lengths from 1.454 to 1.463 Å and P-Cl bond lengths from 2.038 to 2.050 Å . The Raman spectrum of compound 1 was recorded, and the assignment of the [PCl 6 ] − Raman modes is proposed. Graphical Abstract Formation and Crystal Structure of 2,3,5-Triphenyltetrazolium Hexachlorophosphate and Dichlorophosphate(V), [TPT] + [PCl 6 ] – and [TPT] + [PO 2 Cl 2 ] –