Study of the vibrational spectra of (CH3)3GeCl from experimental and DFT calculations

New infrared (for gas and liquid phase) and Raman (for liquid) spectra were measured for the chlorotrimethylgermane to obtain a complete assignment of its fundamental modes. The measurement of the low‐temperature infrared spectrum together with the application of Fourier self‐deconvolution to the Ra...

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Bibliographic Details
Published in:Journal of Raman spectroscopy 2009-11, Vol.40 (11), p.1591-1598
Main Authors: Roldán, María Lorena, Brandán, Silvia Antonia, Navarro, Amparo, Ben Altabef, Aída
Format: Article
Language:English
Subjects:
Band spectra
Bands
chlorotrimethylgermane
force field
Fourier analysis
Fourier self-deconvolution
Infrared
Liquids
Quantum mechanics
Spectra
Vibrational spectra
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Summary:New infrared (for gas and liquid phase) and Raman (for liquid) spectra were measured for the chlorotrimethylgermane to obtain a complete assignment of its fundamental modes. The measurement of the low‐temperature infrared spectrum together with the application of Fourier self‐deconvolution to the Raman spectra resolves the CH vibrational modes into their components. The Rauhut and Pulay scaled quantum mechanical (SQM) force field methodology and the wavenumber‐linear scaling (WLS) method were used to predict the vibrational spectra as a guide to the assignment of the fundamental bands. A quantum mechanical analysis was carried out to obtain the harmonic force field. Copyright © 2009 John Wiley & Sons, Ltd. New infrared and Raman spectra were measured for the clorotrimethylgermane (CTMG) to complete the assignment for its fundamental modes. The C‐H vibrational modes were resolved into their components with the aid of the low‐temperature infrared techniques together with the FSD on the Raman spectra.
ISSN:0377-0486
1097-4555
DOI:10.1002/jrs.2304