Artigo Revisado por pares

Cycloaddition of Cyclopentadiene and Dicyclopentadiene on Si(100)-2×1: Comparison of Monomer and Dimer Adsorption

1999; American Chemical Society; Volume: 103; Issue: 32 Linguagem: Inglês

10.1021/jp991528x

ISSN

1520-6106

Autores

George T. Wang, Collin Mui, Charles B. Musgrave, Stacey F. Bent,

Tópico(s)

Semiconductor materials and interfaces

Resumo

The adsorption of cyclopentadiene and its dimer form, dicyclopentadiene, on the Si(100)-2×1 surface has been investigated using polarized multiple internal reflection Fourier transform infrared (MIR-FTIR) spectroscopy together with ab initio quantum chemistry calculations. The results show that cyclopentadiene adsorbs at room temperature to form a [4 + 2] cycloaddition product and at saturation covers less than two-thirds of the surface. Dicyclopentadiene adsorbs intact, most likely by a [2 + 2] cycloaddition reaction, and is estimated to adsorb onto 30−40% more SiSi dimer sites than cyclopentadiene despite its larger size. Dicyclopentadiene is not found to react via a surface-catalyzed retro-Diels−Alder pathway whereby it splits into cyclopentadiene while chemisorbing, even though this pathway is theoretically predicted to be much more thermodynamically favored.

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