Abstract
In order to know the capacity of the tetrazolium cation [Ph3CN4]+ to act as a stabilizing influence in the presence of bulky anions and facilitator to obtain suitable crystals for single-crystal X-ray diffraction studies, four new compounds [Ph3CN4] [Ph2P(X)NP(Y)Ph2] [X = Y = O (1); X = Y = S (2); X = Y = Se (3); X = S, Y = Se (4)] were synthesized. The compounds were characterized by elemental analysis, IR, FAB+ mass spectrometry, 1H, 13C, and 31P NMR spectroscopy, and the corresponding single-crystal X-ray structural determinations were acquired. In the four compounds, the neighboring [Ph3CN4]+ and [Ph2P(X)NP(Y)Ph2]- ions are linked by electrostatic interactions, and thus supramolecular polymer chains are generated. To explain the energetic implications of the structural deformations, the interactions and the stabilizer hydrogen bonds, a study was carried out through the Density Functional Theory (DFT).
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