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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Veröffentlicht in: | Journal of Raman spectroscopy 2009-11, Vol.40 (11), p.1591-1598 |
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Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | 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 CH 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. |
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ISSN: | 0377-0486 1097-4555 |
DOI: | 10.1002/jrs.2304 |