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