Vibrational spectrum of methoxytrimethylsilane

• Published in: Journal of molecular structure Vol. 744; pp. 331 - 338
• Main Authors: Montejo, M., Partal Ureña, F., Márquez, F., Ignatyev, I.S., González, J.J. López
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 03-06-2005
• Subjects: Methoxytrimethylsilane; Raman; Vibrational spectra; Methoxytrimethylsilane; IR; Raman; Vibrational spectra
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2004.12.040

Gas and liquid phase infrared spectra and the liquid phase Raman spectrum of methoxytrimethylsilane (MTMS) have been newly recorded. Theoretical calculations at the B3LYP level, using two different basis sets, i.e. the standard 6-31G* and the Huzinaga–Dunning type DZP+diff, together with the application of SQMFF methodology have been used for the revision of the vibrational spectra of the title molecule, reproducing the whole IR and Raman spectral profiles. This has allowed us to propose the reassignment of some fundamental bands of its vibrational spectra, namely
ν
27,
ν
35,
ν
42,
ν
45,
ν
46 and
ν
48 and to compare them with those of previous assignments. The scale factors obtained for the trimethylsilyl group of this molecule along with those obtained by our group for a set of trimethylsylil derivatives will be used to get a specific set of averaged values suitable for the prediction of vibrational spectra of less stable species containing the Me
3SiO group.