Raman spectra and molecular conformation of 2,4,4-trimethyl-2-pentanethiol as a model compound of a hydrophobic group of triton X-100 surfactant

Add time:07/24/2019    Source:sciencedirect.com

Raman spectra of 2,4,4-trimethyl-2-pentanethiol were measured. The spectral analysis with the normal coordinate treatment indicated that this molecule takes the gauche conformation about the CCCS bond in the solid state and the trans and gauche conformations in the liquid state. The Raman bands due to the totally symmetric C&.zdbnd;C streching vibration of the t-butyl part of the 1,1,3,3-tetramethylbutyl group were found to be important to distinguish the two conformations. These key bands were applied to the interpretation of the Raman spectra of Triton X-100 surfactant which contains the p-(1,1,3,3-tetramethylbutyl)phenoxyl group as a hydrophobic moiety. The 1,1,3,3-tetramethylbutyl group of Triton X-100 molecules is shown to be predominantly in the gauche conformation in the liquid state and in aquaeous solution.

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