Hexacoordinated nitrogen(V) stabilized by high pressure

摘要: In all of its known connections nitrogen retains a valence shell electron count eight therefore satisfying the golden rule chemistry - octet rule. Despite diversity (with oxidation states ranging from + 5 to −3), and despite numerous efforts, compounds containing with higher (hypervalent nitrogen) remain elusive are yet be synthesized. One possible route leading nitrogen’s hypervalency is formation chemical moiety pentavalent atoms coordinated by more than four substituents. Here, we present theoretical evidence that salt hexacoordinated nitrogen(V), in form an NF6− anion, could synthesized at modest pressure 40 GPa (=400 kbar) via spontaneous NF3 F2. Our results indicate synthesis new class hypervalent within reach current high-pressure experimental techniques.