Di–$\sigma$ and Dative Binding of Benzene and Pyridine on a Si($5,5,12$)-$2 \times 1$
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概要
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We investigated the adsorption of benzene and pyridine on Si($5,5,12$)-($2\times 1$) at 80 K by using variable-low temperature scanning tunneling microscopy and density functional theory calculations. The benzene molecule most strongly binds to two adatoms on the $D3$ and $D2$ units in a tilted butterfly configuration, which consists of di–$\sigma$ bonds between C atoms and Si adatoms and two C=C double bonds in the benzene molecule. Pyridine molecules interact with adatom(s) on the $D2$ and $D3$ units through both Si–N dative bonding and di–$\sigma$ bonds. The dative bonding through the lone pair electrons of N atom produces a vertical configuration (pyridine-like), which is more stable than di–$\sigma$ bonds. Di–$\sigma$ bonds can be formed either through Si–N1 and Si–C4 or Si–C2 and Si–C5.
- 2006-03-30
著者
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Hahn J.
Department of Chemistry and Institute of Photonics and Information Technology, Chonbuk National University, Jeonju 561-756, Korea
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Jang Sang
Department of Chemistry and Institute of Photonics and Information Technology, Chonbuk National University, Jeonju 561-756, Korea
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Jeong Hojin
Department of Physics and Institute of Photonics and Information Technology, Chonbuk National University, Jeonju 561-756, Korea
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Jeong Sukmin
Department of Physics and Institute of Photonics and Information Technology, Chonbuk National University, Jeonju 561-756, Korea
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