A 2D Ba2N Electride for Transition Metal-Free N2Dissociation under Mild Conditions

Autor: Zhang, Zhujun, Jiang, Yihao, Li, Jiang, Miyazaki, Masayoshi, Kitano, Masaaki, Hosono, Hideo
Zdroj: Journal of the American Chemical Society; November 2023, Vol. 145 Issue: 45 p24482-24485, 4p
Abstrakt: N2activation 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 N2dissociation. In the present work, we report that a 2D electride of Ba2N with anionic electrons in the interlayer spacings works efficiently for TM-free N2dissociation under mild conditions. The interlayer electrons significantly boost N2dissociation with a very small activation energy of 35 kJ mol–1, as confirmed by the N2isotopic exchange reaction. The reaction of anionic electrons with N2molecules stabilizes (N2)2–anions, the so-called diazenide, in the large interlayer space (∼4.5 Å) sandwiched by 2 cationic slabs of Ba2N as the main intermediate.
Databáze: Supplemental Index