Cycloaddition reaction of furan with Si(100)-2×1
Cycloaddition reaction of furan with Si(100)-2×1
复制标题
呋喃与Si(100)-2×1的环加成反应
DOI：
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发表时间：
2001
期刊：
影响因子：
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通讯作者：
G. Xu
中科院分区：
文献类型：
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作者：
M. Qiao;F. Tao;Y. Cao;Z. H. Li;W. Dai;Jingfa Deng;G. Xu
采用x射线光电子能谱（XPS）、紫外光电子能谱（UPS）、高分辨率电子能量损失能谱（HREELS）和半经验分子轨道（MO）计算研究了呋喃在Si(100)-2×1上125 K的吸附构型。发现了一种化学吸附的呋喃，直到300k才解吸。我们的结果清楚地证明了呋喃在Si（100）上的共价附着，可能是通过[4+2]环加成反应。基于前沿分子轨道（FMO）理论和功函数测量，提出了呋喃向Si(100)-2×1的给电子机制参与了环加成反应。
The adsorption configuration of furan on Si(100)-2×1 at 125 K has been investigated using x-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), high resolution electron energy loss spectroscopy (HREELS), and semiempirical molecular orbital (MO) calculation. A chemisorbed furan species is identified, which does not desorb until 300 K. Our results clearly demonstrate the covalent attachment of furan onto Si(100), possibly through a [4+2] cycloaddition reaction. Based on the frontier molecular orbital (FMO) theory and work function measurements, an electron donation mechanism from furan to Si(100)-2×1 is proposed to be involved in the cycloaddition reaction.