Anionic N18 Macrocycles and a Polynitrogen Double Helix in Novel Yttrium Polynitrides YN6 and Y2N11 at 100 GPaShow others and affiliations
2022 (English)In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 61, no 34, article id e202207469Article in journal (Refereed) Published
Abstract [en]
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 N-18 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 N-18 macrocycles have never been predicted or observed, their discovery significantly extends the chemistry of polynitrides.
Place, publisher, year, edition, pages
Weinheim, Germany: Wiley-VCH Verlagsgesellschaft, 2022. Vol. 61, no 34, article id e202207469
Keywords [en]
High-Pressure Chemistry; Inorganic Double Helix; Macrocycles; Polynitrides
National Category
Materials Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-186475DOI: 10.1002/anie.202207469ISI: 000823843000001PubMedID: 35726633OAI: oai:DiVA.org:liu-186475DiVA, id: diva2:1676850
Note
Funding: Alexander von Humboldt Foundation; Deutsche Forschungsgemeinschaft (DFG) [DU 954-11/1, DU 393-9/2, DU 393-13/1, LA-4916/1-1]; Federal Ministry of Education and Research, Germany (BMBF) [05K19WC1]; Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University (Faculty Grant SFO-Mat-LiU) [2009 00971]; Swedish Research Council (VR) [2019-05600]; Knut and Alice Wallenberg Foundation (Wallenberg Scholar grant) [KAW-2018.0194]; UKRI Future Leaders Fellowship [MR/V025724/1]; Swedish National Infrastructure for Computing (SNIC) [SNIC 2022/6-10, SNIC 2021/37-10]; Projekt DEAL
2022-06-272022-06-272024-01-18Bibliographically approved