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Extending carbon chemistry at high-pressure by synthesis of CaC₂ and Ca₃C₇ with deprotonated polyacene- and para-poly(indenoindene)-like nanoribbons

Title data

Khandarkhaeva, Saiana ; Fedotenko, Timofey ; Aslandukova, Alena ; Akbar, Fariia Iasmin ; Bykov, Maxim ; Laniel, Dominique ; Aslandukov, Andrii ; Ruschewitz, Uwe ; Tobeck, Christian ; Winkler, Björn ; Chariton, Stella ; Prakapenka, Vitali ; Glazyrin, Konstantin ; Giacobbe, Carlotta ; Bright, Eleanor Lawrence ; Belov, Maxim ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Extending carbon chemistry at high-pressure by synthesis of CaC₂ and Ca₃C₇ with deprotonated polyacene- and para-poly(indenoindene)-like nanoribbons.
In: Nature Communications. Vol. 15 (2024) . - 2855.
ISSN 2041-1723
DOI: https://doi.org/10.1038/s41467-024-47138-2

Official URL: Volltext

Project information

Project title:
Project's official title
Project's id
Entschlüsselung der exotischen Chemie von Hochdruck-Stickstoffverbindungen
456543021
FOR 2125: "Structures, properties and reactions of carbonates at high temperatures and pressures"
242495784
Grundlegendes Verständnis der Elektronenübergänge in Metallen und Legierungen der Platingruppe durch Hochdruckexperimente und ab initio Theorien
338621729
Hochdrucksynthese neuartiger Stickstoff (N)-Halogen (Hal)-Verbindungen: binäre N-Hal und ternäre H-N-Hal (Hal = F, Cl, Br, I)
526080028
Wasserstoffbrückenbindungen unter Extremen Bedingungen: Kernquanteneffekte und Symmetrisierung der Wasserstoffbrückenbindung untersucht mit 1H-NMR in Diamantstempelzellen
421754429
Open Access Publizieren
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Project financing: Deutsche Forschungsgemeinschaft

Abstract in another language

Metal carbides are known to contain small carbon units similar to those found in the molecules of methane, acetylene, and allene. However, for numerous binary systems ab initio calculations predict the formation of unusual metal carbides with exotic polycarbon units, [C₆] rings, and graphitic carbon sheets at high pressure (HP). Here we report the synthesis and structural characterization of a HP-CaC₂ polymorph and a Ca₃C₇ compound featuring deprotonated polyacene-like and para-poly(indenoindene)-like nanoribbons, respectively. We also demonstrate that carbides with infinite chains of fused [C₆] rings can exist even at conditions of deep planetary interiors ( ~ 140 GPa and ~3300 K). Hydrolysis of high-pressure carbides may provide a possible abiotic route to polycyclic aromatic hydrocarbons in Universe.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Professor Materials Physics and Technology at Extreme Conditions
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Professor Materials Physics and Technology at Extreme Conditions > Professor Materials Physics and Technology at Extreme Conditions - Univ.-Prof. Dr. Natalia Doubrovinskaia
Research Institutions > Central research institutes > Bavarian Research Institute of Experimental Geochemistry and Geophysics - BGI
Research Institutions
Research Institutions > Central research institutes
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
500 Science > 550 Earth sciences, geology
Date Deposited: 09 Apr 2024 06:24
Last Modified: 25 Nov 2025 13:10
URI: https://eref.uni-bayreuth.de/id/eprint/89171