Please use this identifier to cite or link to this item:
|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|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Jul 14, 2018
WEB OF SCIENCETM
checked on Jun 18, 2018
checked on Jun 29, 2018
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.