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

doi:10.1016/j.susc.2016.03.030

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

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	76-81
Number of pages	6
Journal	Surface Science
Volume	652
DOIs	https://doi.org/10.1016/j.susc.2016.03.030
Publication status	Published - 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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@article{b31dcd23181748e0b89f76ab96f1bf91,

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

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.",

author = "Lin, {Jong Liang} and Lin, {Yi Shiue} and Lin, {Bo Chiuan} and Liao, {Yuan Hsuan} and Chen, {Yi Ting} and Chen, {Shang Wei} and Jhuang, {Jyun Yi} and Yarong Lee and Lin, {Jiing Chyuan}",

year = "2016",

month = oct,

day = "1",

doi = "10.1016/j.susc.2016.03.030",

language = "English",

volume = "652",

pages = "76--81",

journal = "Surface Science",

issn = "0039-6028",

publisher = "Elsevier",

}

TY - JOUR

T1 - Adsorption structure, thermal reaction and initial pathways of 1,2-benzyne on Cu(100)

AU - Lin, Jong Liang

AU - Lin, Yi Shiue

AU - Lin, Bo Chiuan

AU - Liao, Yuan Hsuan

AU - Chen, Yi Ting

AU - Chen, Shang Wei

AU - Jhuang, Jyun Yi

AU - Lee, Yarong

AU - Lin, Jiing Chyuan

PY - 2016/10/1

Y1 - 2016/10/1

N2 - 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.

AB - 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.

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U2 - 10.1016/j.susc.2016.03.030

DO - 10.1016/j.susc.2016.03.030

M3 - Article

AN - SCOPUS:84979492204

VL - 652

SP - 76

EP - 81

JO - Surface Science

JF - Surface Science

SN - 0039-6028

ER -