Study of the vibrational spectra of (CH3)3GeCl from experimental and DFT calculations |
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Authors: | María Lorena Roldn Silvia Antonia Brandn Amparo Navarro Aída Ben Altabef |
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Abstract: | 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. |
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Keywords: | chlorotrimethylgermane vibrational spectra force field Fourier self‐deconvolution |
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