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Simple Molecules under High-Pressure and High-Temperature Conditions: Synthesis and Characterization of α- and β-C(NH)2 with Fully sp3-Hybridized Carbon
Univ Munich LMU, Germany.
Sichuan Univ, Peoples R China.
Univ Edinburgh, Scotland.
Univ Munich LMU, Germany.
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2024 (English)In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773Article in journal (Refereed) Published
Abstract [en]

The elements hydrogen, carbon, and nitrogen are among the most abundant in the solar system. Still, little is known about the ternary compounds these elements can form under the high-pressure and high-temperature conditions found in the outer planets' interiors. These materials are also of significant research interest since they are predicted to feature many desirable properties such as high thermal conductivity and hardness due to strong covalent bonding networks. In this study, the high-pressure high-temperature reaction behavior of malononitrile H2C(CN)(2), dicyandiamide (H2N)(2)C=NCN, and melamine (C3N3)(NH2)(3) was investigated in laser-heated diamond anvil cells. Two previously unknown compounds, namely alpha-C(NH)(2) and beta-C(NH)(2), have been synthesized and found to have fully sp(3)-hybridized carbon atoms. alpha-C(NH)(2) crystallizes in a distorted beta-cristobalite structure, while beta-C(NH)(2) is built from previously unknown imide-bridged 2,4,6,8,9,10-hexaazaadamantane units, which form two independent interpenetrating diamond-like networks. Their stability domains and compressibility were studied, for which supporting density functional theory calculations were performed.

Place, publisher, year, edition, pages
WILEY-V C H VERLAG GMBH , 2024.
Keywords [en]
Carbon Diimide; Carbon Nitrides; High-Pressure Chemistry; High-Temperature Chemistry; Synchrotron Single-Crystal X-Ray Diffraction
National Category
Inorganic Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-200366DOI: 10.1002/anie.202318214ISI: 001140036100001PubMedID: 38100520OAI: oai:DiVA.org:liu-200366DiVA, id: diva2:1830649
Note

Funding Agencies|UK Research and Innovation [MR/V025724/1]; UKRI Future Leaders Fellowship [KAW-2018.0194]; Knut and Alice Wallenberg Foundation (Wallenberg Scholar grant) [I-20211154, I-20220941, HC-5082]; Extreme Conditions Beamline (ECB) P02.2 at Deutsches Elektronensynchrotron

Available from: 2024-01-23 Created: 2024-01-23 Last updated: 2024-11-25

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