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

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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. Bd. 15 (2024) . - 2855.
ISSN 2041-1723
DOI: https://doi.org/10.1038/s41467-024-47138-2

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Abstract

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.