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|Title:||The formation of an enynic-like intermediate in diacetylene binding on Si(100)-2 × 1||Authors:||Huang, H.G.
|Issue Date:||1-Nov-2004||Citation:||Huang, H.G., Lu, X., Xiang, C.L., Teo, T.L., Lai, Y.H., Xu, G.Q. (2004-11-01). The formation of an enynic-like intermediate in diacetylene binding on Si(100)-2 × 1. Chemical Physics Letters 398 (1-3) : 11-14. ScholarBank@NUS Repository. https://doi.org/10.1016/j.cplett.2004.09.034||Abstract:||The covalent attachment of diacetylene (HC≡C-C≡CH) and the formation of a C=C-C≡C structure on Si(100) have been investigated using high-resolution electron energy loss spectroscopy (HREELS) and density functional theory (DFT) calculations. The HREELS spectrum of the chemisorbed monolayer shows the coexistence of ≡Csp-H and =Csp2-H stretching modes coupled with the concurrent observation of the C≡C and C=C stretching modes. The experimental results unambiguously demonstrate a [2 + 2]-like cycloaddition mechanism for diacetylene chemisorption on Si(100) through the binding between one of the C≡C groups and a Si dimer, consistent with the prediction of DFT calculations. © 2004 Elsevier B.V. All rights reserved.||Source Title:||Chemical Physics Letters||URI:||http://scholarbank.nus.edu.sg/handle/10635/95235||ISSN:||00092614||DOI:||10.1016/j.cplett.2004.09.034|
|Appears in Collections:||Staff Publications|
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