Reactions of silicon atoms and small clusters with CO: experimental and theoretical characterization of SinCO (n=1-5), Si2(CO)2, c-Si2(mu-O)(mu-CSi), and c-Si2(mu-O)(mu-CCO) in solid argon

Mingfei Zhou; Ling Jiang; Qiang Xu

doi:10.1063/1.1811078

Reactions of silicon atoms and small clusters with CO: experimental and theoretical characterization of SinCO (n=1-5), Si2(CO)2, c-Si2(mu-O)(mu-CSi), and c-Si2(mu-O)(mu-CCO) in solid argon

J Chem Phys. 2004 Dec 1;121(21):10474-82. doi: 10.1063/1.1811078.

Authors

Mingfei Zhou¹, Ling Jiang, Qiang Xu

Affiliation

¹ Department of Chemistry & Laser Chemistry Institute, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, People's Republic of China. mfzhou@fudan.edu.cn

PMID: 15549928
DOI: 10.1063/1.1811078

Abstract

Reactions of silicon atoms and small clusters with carbon monoxide molecules in solid argon have been studied using matrix isolation infrared absorption spectroscopy. In addition to the previously reported SiCO monocarbonyl, Si(2)(CO)(2) and Si(n)CO (n=2-5) carbonyl molecules were formed spontaneously on annealing and were characterized on the basis of isotopic substitution and theoretical calculations. It was found that Si(2)CO, Si(3)CO, and Si(5)CO are bridge-bonded carbonyl compounds, whereas Si(4)CO is a terminal-bonded carbonyl molecule. The Si(2)(CO)(2) and Si(3)CO molecules photochemically rearranged to the more stable c-Si(2)(mu-O)(mu-CCO) and c-Si(2)(mu-O) (mu-CSi) isomers where Si(2) is inserted into the CO triple bond.