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Combined XPS and DFT investigation of the adsorption modes of methyl enol ether functionalized cyclooctyne on Si(001)
Author(s) -
Glaser Timo,
Meinecke Jannick,
Länger Christian,
Luy JanNiclas,
Tonner Ralf,
Koert Ulrich,
Dürr Michael
Publication year - 2021
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.202000870
Subject(s) - ether , x ray photoelectron spectroscopy , enol ether , chemistry , enol , photochemistry , molecule , adsorption , dimethyl ether , stereochemistry , organic chemistry , catalysis , nuclear magnetic resonance , physics
The reaction of methyl enol ether functionalized cyclooctyne on the silicon (001) surface was investigated by means of X‐ray photoelectron spectroscopy (XPS) and density functional theory (DFT). Three different groups of final states were identified; all of them bind on Si(001) via the strained triple bond of cyclooctyne but they differ in the configuration of the methyl enol ether group. The majority of molecules adsorbs without additional reaction of the enol ether group; the relative contribution of this configuration to the total coverage depends on substrate temperature and coverage. Further configurations include enol ether groups which reacted on the silicon surface either via ether cleavage or enol ether groups which transformed on the surface into a carbonyl group.