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.
Articolo in rivista - Articolo scientifico
vibrational spectroscopy; fluorinated polymers; hydrogen bonding; FTIR
English
2010
114
19
6332
6336
none
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].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/10825
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