Crystal structure of Au-pseudocarbyne(C6)

Jun Wu, Pilarisetty Tarakeshwar, Scott G. Sayres, Moreno Meneghetti, Hyunsub Kim, Juan Barreto, Peter Buseck

Research output: Contribution to journalArticlepeer-review

Abstract

Carbyne-related materials permit exploring the potentially extraordinary properties of this long-sought but still elusive carbon allotrope. However, accurate understanding of these materials is challenging. Here we report the crystal structure of a Au-pseudocarbyne, a representative of a possible new family of materials consisting of sp-hybridized carbon chains and stabilizing metal atoms. Au-pseudocarbyne(C6), the representative pseudocarbyne containing six-membered carbon chains, has space group P6/mmm191 and unit-cell parameters a = b = 0.60 nm, c = 0.896 nm, α = β = 90°, γ = 120°. Its long-range structure can be understood as intimately intergrown bundles, each consisting of six parallel, infinite carbon chains surrounding a column of gold atoms. This compound, together with its eight-membered counterpart Au-pseudocarbyne(C8), shows that interesting new materials resembling the carbyne structure and sharing some of its properties can be designed and developed. The current work raises serious questions regarding recent reports of carbyne synthesis.

Original languageEnglish (US)
Article number266
JournalScientific reports
Volume15
Issue number1
DOIs
StatePublished - Dec 2025
Externally publishedYes

Keywords

  • Carbyne
  • Gold-carbon bond
  • Linear carbon chains
  • Pseudocarbyne
  • sp hybridization

ASJC Scopus subject areas

  • General

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