FT-IR spectroscopy and DFT calculations on fluorinated macromer diols: IR intensity and association properties.
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.
Radice
Stefano
S
Solvay Solexis R&D Center, Viale Lombardia 20, 20021 Bollate (MI), Italy. stefano.radice@solvay.com
Di Dedda
Elena
E
Tonelli
Claudio
C
Della Pergola
Roberto
R
Milani
Alberto
A
Castiglioni
Chiara
C