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|Title:||P -benzoquinone on Si(111)-7×7: [6 + 2]-like cycloaddition|
|Citation:||Ning, Y.S., Shao, Y.X., Xu, G.Q. (2010-06-17). P -benzoquinone on Si(111)-7×7: [6 + 2]-like cycloaddition. Journal of Physical Chemistry C 114 (23) : 10455-10462. ScholarBank@NUS Repository. https://doi.org/10.1021/jp9115707|
|Abstract:||The Covalent binding of p-benzoquinone (O=C6H4=O) and the formation of an aromatic ring (-O-C6H4-O-) on Si(111)-7×7 have been investigated by using high-resolution electron energy loss spectroscopy (HREELS), X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT) calculations. For chemisorbed p-benzoquinone, the absence of v(C=O) at 1659 cm-1, the retention of sp 2-v(C-H) at 3050 cm-1, the appearance of v(Si-O) at 824 cm-1, and aromatic v(C=C)/δip(C-H) at 1600/1505 cm-1 demonstrate that the molecule reacts with the surface in a [6+2]-like cycloaddition mode, which is further confirmed by XPS and density functional theory (DFT) vibrational calculations. DFT calculations indicate that the [6+2]-like cycloadduct (-O-C6H4-O-) bridging two nearest adatoms in neighboring half-unit cells is the most stable. This binding scheme may prove useful for chemical and electronic modification of the semiconductor surfaces. © 2010 American Chemical Society.|
|Source Title:||Journal of Physical Chemistry C|
|Appears in Collections:||Staff Publications|
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