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Adsorption and bonding of 2-butenal on Sn/Pt surface alloys

机译:Sn / Pt表面合金对2-丁醛的吸附和结合

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摘要

The adsorption of 2-butenal on the Pt(111), Pt(111)Sn-(2 x 2), and Pt(111)Sn-(root3 x root3)R30degrees surfaces has been studied by high-resolution photoelectron spectroscopy and DFT calculations. On Pt(111) 2-butenal adsorbs at a threefold hollow in a eta(3)(C,C,O) configuration. A similar geometry is observed for Pt(111)Sn-(2 x 2), although the oxygen coordinates to tin instead of platinum. As the surface coverage of tin increases, as for Pt(111)Sn-(root3 x root3)R30degrees, the most stable adsorption geometry changes to eta(1)(O), where the carbonyl oxygen once again coordinates to tin. The carbonyl bond thus retains an activated character as Pt/Sn alloys are formed. The alkene/surface interaction is, however, dramatically influenced at increasing surface concentrations of tin. (C) 2003 Elsevier Science (USA). All rights reserved. [References: 42]
机译:通过高分辨率光电子能谱和DFT研究了2-丁烯醛在Pt(111),Pt(111)Sn-(2 x 2)和Pt(111)Sn-(root3 x root3)R30度表面上的吸附计算。在Pt(111)上,2-丁烯醛在eta(3)(C,C,O)构型的三倍空心处吸附。对于Pt(111)Sn-(2 x 2),观察到相似的几何形状,尽管氧与锡而不是铂配位。随着锡的表面覆盖率的增加,对于Pt(111)Sn-(root3 x root3)R30度,最稳定的吸附几何形状变为eta(1)(O),其中羰基氧再次与锡配合。因此,当形成Pt / Sn合金时,羰基键保持活化特性。然而,随着锡表面浓度的增加,烯烃/表面的相互作用会受到显着影响。 (C)2003 Elsevier Science(美国)。版权所有。 [参考:42]

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