Login / Signup

Extending carbon chemistry at high-pressure by synthesis of CaC 2 and Ca 3 C 7 with deprotonated polyacene- and para-poly(indenoindene)-like nanoribbons.

Saiana KhandarkhaevaTimofey FedotenkoAlena AslandukovaFariia Iasmin AkbarMaxim BykovDominique LanielAndrey N AslandukovUwe RuschewitzChristian TobeckBjörn WinklerStella CharitonVitali B PrakapenkaKonstantin GlazyrinCarlotta GiacobbeEleanor Lawrence BrightMaxim BelovNatalia DubrovinskaiaLeonid S Dubrovinsky
Published in: Nature communications (2024)
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, [C 6 ] rings, and graphitic carbon sheets at high pressure (HP). Here we report the synthesis and structural characterization of a HP-CaC 2 polymorph and a Ca 3 C 7 compound featuring deprotonated polyacene-like and para-poly(indenoindene)-like nanoribbons, respectively. We also demonstrate that carbides with infinite chains of fused [C 6 ] 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.
Keyphrases
  • polycyclic aromatic hydrocarbons
  • anaerobic digestion
  • molecular dynamics
  • protein kinase
  • molecular dynamics simulations
  • transition metal
  • plant growth