FT-IR spectroscopy and DFT calculations on fluorinated macromer diols: IR intensity and association properties
Stefano Radice1, Elena Di Dedda, Claudio Tonelli
1Solvay Solexis R&D Center, Viale Lombardia 20, 20021 Bollate (MI), Italy. stefano.radice@solvay.com
Abstract:
Fluorinated macromeric diols have been investigated by means of Fourier transform infrared (FT-IR) spectroscopy; the absolute intensities of characteristic bands of OH stretching have been determined and related to aggregation phenomena. Main results show that the ratio between "free" and "hydrogen-bonded" OH groups strictly depends on the polarity of chemical environment (macromeric-polymeric matrix). The intepretation of the experimental data has been supported by density functional theory (DFT) calculations on suitable molecular models, validating the results obtained both qualitatively and quantitatively.
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