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Beilstein J. Org. Chem. 2018, 14, 2715–2721, doi:10.3762/bjoc.14.249
Graphical Abstract
Figure 1: Adsorption energy profile of a direct adsorption (black, e.g., cyclooctyne/Si(001)) in comparison w...
Scheme 1: The reaction of cyclooctyne (1) with a Si(001) surface dimer, yielding a [2 + 2] cycloadduct 2.
Figure 2: Optimized (PBE-D3/PAW) structure of two molecules of 1 on Si(001) on neighbouring surface dimers (3...
Figure 3: Energy profile of the adsorption pathway depicted in Scheme 1 on the clean and precovered Si(001) surface c...
Figure 4: Si(001) Surface precovered with one adsorbate 1 and unit cell used in the PES scans (orientation of...
Figure 5: Frozen PES scans of 1 along path indicated in Figure 4 (C2 axis parallel to z, C≡C parallel to y, Δz(Siup–C...