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Author Wu, S. -M. ♦ Chiang, C. -M. ♦ Yang, Y. -W.
Source CiteSeerX
Content type Text
File Format PDF
Subject Domain (in DDC) Computer science, information & general works ♦ Data processing & computer science
Subject Keyword Thin Film Sequential Bond Rearrangement ♦ Unsaturated C3h3 Group Adsorbed ♦ Core-level Binding Energy ♦ Sequential Tautomerization ♦ Chemisorbed Unsaturated C3h3 Group ♦ C1s Xps ♦ Density Functional Theory ♦ C-br Bond ♦ Characteristic Vibrational Band ♦ Rair Measurement ♦ Sequential Bond Transformation ♦ Key Surface Intermediate ♦ Internal Bond Rearrangement ♦ Propargyl Bromide ♦ Third Isomeric Methylacetylide Presentation ♦ Reflection Absorption ♦ Theoretical Cluster Calculation ♦ Temperature-dependent X-ray Photoemission Spectroscopy ♦ Isomeric Allenyl C3h3 Formalism
Abstract The internal bond rearrangement of chemisorbed unsaturated C3H3 groups on Ag(111) have been identified by temperature-dependent X-ray photoemission spectroscopy (XPS), reflection absorption infrared spectroscopy (RAIRS) and density functional theory (DFT) calculations. The shift of 3d core-level binding energy (BE) of bromine and RAIR spectra taken after annealing a propargyl bromide (C3H3Br) covered Ag(111) surface to 200 K indicate the rupture of the C-Br bond and formation of an isomeric allenyl C3H3 formalism, rather than propargyl. Sequential tautomerization of this allenyl into the third isomeric methylacetylide presentation was found to occur at 300 K, validated by C1s XPS and RAIR measurements. Theoretical cluster calculations assisted in the assignments of the characteristic vibrational bands involving the key surface intermediates to confirm the proposed sequential bond transformation processes.
Educational Role Student ♦ Teacher
Age Range above 22 year
Educational Use Research
Education Level UG and PG ♦ Career/Technical Study