Evidence For The Presence Of A Distinct PhenolÃ¢â‚¬Â¢Solvent Complex In Apolar Solvents From Numerical IR Bandsplitprocedures.

Bert Lutz; John van der Maas

doi:10.1117/12.969489

1 December 1989 Evidence For The Presence Of A Distinct Phenol---Solvent Complex In Apolar Solvents From Numerical IR Bandsplitprocedures.

Bert Lutz, John van der Maas

Author Affiliations +

Proceedings Volume 1145, 7th Intl Conf on Fourier Transform Spectroscopy; (1989) https://doi.org/10.1117/12.969489
Event: Seventh International Conference on Fourier and Computerized Infrared Spectroscopy, 1989, Fairfax, VA, United States

Abstract

The nature of interaction of a solute molecule with solvent molecules is interesting not only for a better understanding of physical phenomena but also from a biological point of view. In general the timescale of the infrared absorption process is faster than the lifetime of rotamers, conformations, aggregates and complexes. Therefore the FT-IR technique is suitable to study this type of interaction processes. Earlier the sensitivity of functional group vibrations to local intra- and intermolecular interactions has been reported for the OH-stretching mode [1,3]. We established that in non polar solvents like CC14 and CS2 both the frequency and the halfbandwidth reflect the solute-solvent interaction. Difference bandparameters derived from bandshape and bandmaximum in different non polar solvents (ΔHBW and vd) prove to be useful to characterize the type of hydroxylgroup and to quantify the degree of shielding. However, more insight was needed to explain frequency shifts and bandshape changes as result of solvent variation. Two general types of theories describe the solvent effect: (1) the interaction of one vibrating molecule within a solvent cavity and (2) the interaction of the oscillator with one solvent particle. Furthermore the influence of solvents on the infrared spectra has been correlated with refractive indices, dielectric constants, Taft parameters, van der Waals interactions and dispersion forces [2]. We have studied the OH mode of a phenol in mixtures of the apolar solvents CC14 and CS2 in order to disclose solute-solvent interaction. The bandshape in the mixture has clearly a composite character but does not show two maxima. Therefore bandsplitting based on "natural" bands has been applied to get insight into the separate components of the measured band for various ratios of CC14/CS2.

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Bert Lutz and John van der Maas "Evidence For The Presence Of A Distinct Phenol---Solvent Complex In Apolar Solvents From Numerical IR Bandsplitprocedures.", Proc. SPIE 1145, 7th Intl Conf on Fourier Transform Spectroscopy, (1 December 1989); https://doi.org/10.1117/12.969489

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