12439-83-7Relevant academic research and scientific papers
Structure of (SiO)2: A Comparison between (AlF)2, (SiO)2, and (PN)2. Matrix Infrared Investigation and ab Initio Calculation
Schnoeckel, Hansgeorg,Mehner, Thomas,Plitt, Harald S.,Schunck, Stephan
, p. 4578 - 4582 (1989)
The structure of dimeric SiO is reexamined by a study of the IR spectra of the matrix-isolated species.Spectra of isotopomers from experiments with 29Si- and 18O-enriched samples are discussed with the help of normal-coordinate analysis.The results are in line with data of the geometrical and electronic structure obtained by ab initio SCF calculations.The dimerization energy calculated by quantum chemical methods agrees well with experimental data, which have been recalculated.With the help of additional ab initio calculations on the isoelectronic species PN and AlF, interesting correlations between their tendency toward dimerization can be obtained.Structural data of SiO are compared with the analogous ones of similar molecules (e.g., BF).
Raman-spectroscopy of oligomeric SiO species isolated in solid methane
Friesen, Markus,Junker, Markus,Zumbusch, Andreas,Schnoeckel, Hansgeorg
, p. 7881 - 7887 (2007/10/03)
From the IR-spectra of matrix isolated SiO species a D2h-structure has been postulated for the dimer and a D3h-structure for the trimer. High quality Raman-spectra - necessary for the complete characterization - were missing so far. Here we report the Raman-spectra especially of the totally symmetric vibrations for Si2O2 and Si3O3 and their 16O/18O isotopomers isolated in solid methane. We also detect the most intense A1-vibration of Si4O4 and can assign it with its 16O/18O isotopic splitting. Ab initio calculations for all oligomers are presented in order to support the assignment of the spectra and to obtain geometric and energetic information about the oligomeric species which have been detected experimentally.
