Adsorption structure, thermal reaction and initial pathways of 1,2-benzyne on Cu(100)

Jong Liang Lin, Yi Shiue Lin, Bo Chiuan Lin, Yuan Hsuan Liao, Yi Ting Chen, Shang Wei Chen, Jyun Yi Jhuang, Yarong Lee, Jiing Chyuan Lin

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)


1,2-C6H4I2 is used as precursor to generate 1,2-C6H4 (ortho-C6H4) on Cu(100). The reflection–absorption infrared spectroscopy (RAIRS) confirms the vertical adsorption geometry of 1,2-C6H4 on Cu(100), which agrees with that predicted theoretically. H2 evolving between 620 K and 870 K is the only reaction product detected from the 1,2-C6H4 decomposition in temperature-programmed reaction/desorption (TPR/D). Our calculations indicate that the 1,2-C6H4 primarily undergoes C3–H bond scission, forming 1,2,3-C6H3, with distorted C6 ring, and H atom on the surface without ring rupture (C1–C2 bond dissociation) prior to H loss. Furthermore, isomerization of the 1,2-C6H4, if it does occur, may proceed via dehydrogenation–hydrogenation, instead of H-shift.

Original languageEnglish
Pages (from-to)76-81
Number of pages6
JournalSurface Science
Publication statusPublished - 2016 Oct 1

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry


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