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A CSD analysis and DFT study reveal that the nitrogen lone-pair in [N(PPh3)2]+ is partially intact and involved in intramolecular hydrogen bonding. Computations with the model cation [N(PMe3)2]+ indicate that intermolecular hydrogen bonding with this ion's N-atom is possible (−8.3 kcal mol−1 for H2O as hydrogen bond donor), presenting a rare example of pseudo anti electrostatic hydrogen bonding.

The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

The N-atom in [N(PR₃)₂]⁺ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions