ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The O2SiCO and O2Si(CO)2 molecules have been produced by reactions of SiO2 with CO in solid argon. Based on isotopic substitution experiments, infrared absorptions at 2206.8, 1390.1, and 989.4 cm−1 are assigned to the C–O and antisymmetric and symmetric SiO2 stretching vibrations of the O2SiCO molecule, and absorptions at 2195.7, 2191.3, and 1367.3 cm−1 are assigned to the O2Si(CO)2 molecule. Density functional theory calculations have been performed for the aforementioned species, which lend strong support to the experimental assignments of the infrared spectra. The O2SiCO molecule has a T-shaped C2v structure, while the O2Si(CO)2 molecule has a twisted C2 structure. The C–O stretching vibrational frequencies are higher than that of free CO due to electrostatic interaction. Bonding analysis showed that besides σ donation and π backdonation that are common to transition metal carbonyls, σ backdonation and π donation also contribute to the bonding between SiO2 and CO in the O2SiCO and O2Si(CO)2 molecules. © 2002 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.1452727
