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, S., Di Dedda, E., Tonelli, C., DELLA PERGOLA, R., Milani, A., Castiglioni, C. (2010). FT-IR Spectroscopy and DFT Calculations on Fluorinated Macromer Diols: IR Intensity and Association Properties. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 114(19), 6332-6336 [10.1021/jp101840f].
FT-IR Spectroscopy and DFT Calculations on Fluorinated Macromer Diols: IR Intensity and Association Properties
DELLA PERGOLA, ROBERTO;
2010
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.