Effect of a methyl-protecting group on the adsorption of pyrrolidine on Si(100)-2 x 1

被引:31
作者
Wang, GT [1 ]
Mui, C [1 ]
Musgrave, CB [1 ]
Bent, SF [1 ]
机构
[1] Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA
关键词
D O I
10.1021/jp004298r
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The room-temperature adsorption of pyrrolidine and its methyl-protected analogue, N-methylpyrrolidine, on the Si(100)-2 x 1 surface has been investigated using multiple internal reflection Fourier transform infrared spectroscopy and ab initio quantum chemistry calculations. For both compounds, initial adsorption occurs by barrierless formation of a dative bond between the nitrogen lone pair and the electrophilic atom of the Si dimer. However, while pyrrolidine proceeds to chemisorb dissociatively through N-H bond cleavage, methylpyrrolidine is shown to be trapped in its dative-bonded precursor state at room temperature due to a substantial barrier for N-CH3 cleavage. Additionally, the saturation coverage of methylpyrrolidine on Si is seen to be significantly less than that of pyrrolidine, due likely to both steric factors and charge-transfer effects.
引用
收藏
页码:3295 / 3299
页数:5
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