A 2D Ba(2)N Electride for Transition Metal-Free N(2) Dissociation under Mild Conditions

[Image: see text] N(2) activation is a key step in the industrial synthesis of ammonia and other high-value-added N-containing chemicals, and typically is heavily reliant on transition metal (TM) sites as active centers to reduce the large activation energy barrier for N(2) dissociation. In the present work, we report that a 2D electride of Ba(2)N with anionic electrons in the interlayer spacings works efficiently for TM-free N(2) dissociation under mild conditions. The interlayer electrons significantly boost N(2) dissociation with a very small activation energy of 35 kJ mol(–1), as confirmed by the N(2) isotopic exchange reaction. The reaction of anionic electrons with N(2) molecules stabilizes (N(2))(2–) anions, the so-called diazenide, in the large interlayer space (∼4.5 Å) sandwiched by 2 cationic slabs of Ba(2)N as the main intermediate.