Science
[Report] Synthesis and characterization of P2N3−: An aromatic ion composed of phosphorus and nitrogen
Alexandra Velian, Christopher C. Cummins.
Aromaticity is predominantly associated with carbon-rich compounds but can also occur in all-inorganic ones. We report the synthesis of the diphosphatriazolate anion, a rare example of a planar aromatic inorganic species. Treatment of azide (N3−) in tetrahydrofuran solution with P2A2 (A = C14H10), a source of P2, produced P2N3−, which we isolated as its [Na-kryptofix-221]+ salt in 22% yield and characterized by single-crystal x-ray diffraction. Salts [Na-kryptofix-221] [P2N3] and [Na-kryptofix-221] [P215NN2] were analyzed by infrared and Raman spectroscopy, 15N and 31P nuclear magnetic resonance spectroscopy, and mass spectrometry. The formation of the P2N3− anion was investigated using density functional theory, and its aromatic character was confirmed by NICS (nucleus-independent chemical shift) and QTAIM (quantum theory of atoms in molecules) methods.