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https://doi.org/10.1021/jp9115707
DC Field | Value | |
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dc.title | P -benzoquinone on Si(111)-7×7: [6 + 2]-like cycloaddition | |
dc.contributor.author | Ning, Y.S. | |
dc.contributor.author | Shao, Y.X. | |
dc.contributor.author | Xu, G.Q. | |
dc.date.accessioned | 2014-10-16T08:36:26Z | |
dc.date.available | 2014-10-16T08:36:26Z | |
dc.date.issued | 2010-06-17 | |
dc.identifier.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 | |
dc.identifier.issn | 19327447 | |
dc.identifier.uri | http://scholarbank.nus.edu.sg/handle/10635/94472 | |
dc.description.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. | |
dc.description.uri | http://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1021/jp9115707 | |
dc.source | Scopus | |
dc.type | Article | |
dc.contributor.department | CHEMISTRY | |
dc.description.doi | 10.1021/jp9115707 | |
dc.description.sourcetitle | Journal of Physical Chemistry C | |
dc.description.volume | 114 | |
dc.description.issue | 23 | |
dc.description.page | 10455-10462 | |
dc.identifier.isiut | 000278479700020 | |
Appears in Collections: | Staff Publications |
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