TY  - JOUR
AU  - Liang, Akun
AU  - ten Eikelder, Henricus R. A.
AU  - Ranieri, Umbertoluca
AU  - Spender, James
AU  - Massani, Bernhard
AU  - Fedotenko, Timofey
AU  - Glazyrin, Konstantin
AU  - Giordano, Nico
AU  - Lawrence Bright, Eleanor
AU  - Wright, Jonathan
AU  - Shi, Lan-Ting
AU  - Trybel, Florian
AU  - Laniel, Dominique
TI  - High-Pressure Synthesis of the First Thermodynamically Stable Silver Nitride, AgN<sub>5</sub>
JO  - JACS Au
VL  - x
SN  - 2691-3704
CY  - Washington, DC
PB  - ACS Publications
M1  - PUBDB-2026-00306
SP  - jacsau.5c01135
PY  - 2025
N1  - cc-by-nc-ndonline first
AB  - Being a noble metal, silver is known for its chemical inertness. Molecular nitrogen, due to its extremely strong covalent triple bond, is also typically considered unreactive. It is thus unsurprising that no credible report on the formation of a thermodynamically stable silver and nitrogen compound exists. In this study, we report the synthesis of silver pentazolate (AgN5), achieved through the direct reaction of elemental silver with molecular nitrogen at a pressure of 118(3) GPa and a temperature of 2000(200) K. The crystal structure of AgN5 was determined from synchrotron single-crystal X-ray diffraction (SCXRD) data, revealing it to be comprised of cyclo-N5– anions. Remarkably, this solid’s structure does not correspond to any of the silver nitrides previously predicted. Moreover, density functional theory (DFT)-based enthalpy convex hull calculations demonstrate that this AgN5 compound is the only thermodynamically stable Ag–N solid between 10 and 120 GPa while also providing information on its phonon and electron band structures, including its electronic band gap. Both DFT calculations and SCXRD experimental data yield insights into the stability pressure range of AgN5 upon decompression. This study provides yet another example of the capability of high pressure and high temperature to facilitate unprecedented chemical reactions between elements often assumed to be inert, in turn enabling the formation of novel nitrogen-rich compounds.
LB  - PUB:(DE-HGF)16
DO  - DOI:10.1021/jacsau.5c01135
UR  - https://bib-pubdb1.desy.de/record/643595
ER  -