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
N1 - Publisher Copyright:
© 2016 Elsevier B.V.
Copyright:
Copyright 2017 Elsevier B.V., All rights reserved.
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 -