Anionic N-18 Macrocycles and a Polynitrogen Double Helix in Novel Yttrium Polynitrides YN6 and Y2N11 at 100 GPa

Andrey Aslandukov*, Florian Trybel, Alena Aslandukova, Dominique Laniel, Timofey Fedotenko, Saiana Khandarkhaeva, Georgios Aprilis, Carlotta Giacobbe, Eleanor Lawrence Bright, Igor A. Abrikosov, Leonid Dubrovinsky, Natalia Dubrovinskaia

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

Two novel yttrium nitrides, YN6 and Y2N11, were synthesized by direct reaction between yttrium and nitrogen at 100 GPa and 3000 K in a laser-heated diamond anvil cell. High-pressure synchrotron single-crystal X-ray diffraction revealed that the crystal structures of YN6 and Y2N11 feature a unique organization of nitrogen atoms—a previously unknown anionic N18 macrocycle and a polynitrogen double helix, respectively. Density functional theory calculations, confirming the dynamical stability of the YN6 and Y2N11 compounds, show an anion-driven metallicity, explaining the unusual bond orders in the polynitrogen units. As the charge state of the polynitrogen double helix in Y2N11 is different from that previously found in Hf2N11 and because N18 macrocycles have never been predicted or observed, their discovery significantly extends the chemistry of polynitrides.
Original languageEnglish
Article numbere202207469
Pages (from-to)1-7
Number of pages7
JournalAngewandte Chemie International Edition
Volume61
Issue number34
Early online date21 Jun 2022
DOIs
Publication statusPublished - 22 Aug 2022

Keywords / Materials (for Non-textual outputs)

  • High-Pressure Chemistry
  • Inorganic Double Helix
  • Macrocycles
  • Polynitrides

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