Precursor mediated cycloaddition reaction of ethylene to the Si(100)c(4 x 2) surface

Masashi Nagao; Hirobumi Umeyama; Kozo Mukai; Yoshiyuki Yamashita; Jun Yoshinobu; Kazuto Akagi; Shinji Tsuneyuki

doi:10.1021/ja047426o

Precursor mediated cycloaddition reaction of ethylene to the Si(100)c(4 x 2) surface

J Am Chem Soc. 2004 Aug 18;126(32):9922-3. doi: 10.1021/ja047426o.

Authors

Masashi Nagao¹, Hirobumi Umeyama, Kozo Mukai, Yoshiyuki Yamashita, Jun Yoshinobu, Kazuto Akagi, Shinji Tsuneyuki

Affiliation

¹ The Institute for Solid State Physics, The University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8581, Japan.

PMID: 15303857
DOI: 10.1021/ja047426o

Abstract

We report the direct observation of a precursor state for the cycloaddition reaction (the di-sigma bond formation) of ethylene on Si(100)c(4 x 2) using high-resolution electron energy loss spectroscopy at low temperature, and the meta-stable precursor state is identified as a weakly bonded pi-complex type. The activation energy from the pi-complex precursor to the di-sigma bonded species is experimentally estimated to be 0.2 eV. First-principles calculations support the pi-complex precursor mediated cycloaddition reaction of ethylene on Si(100)c(4 x 2).