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

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1 Citation (Scopus)

Abstract

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
Volume652
DOIs
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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