Hunt, Neil T. and Turner, Andrew R. and Wynne, Klaas (2005) Inter- and intramolecular hydrogen bonding in phenol derivatives: A model system for poly-L-tyrosine. Journal of Physical Chemistry B, 109 (40). pp. 19008-19017. ISSN 1520-6106Full text not available in this repository. (Request a copy from the Strathclyde author)
The ultrafast dynamics of solutions of phenol and two phenol derivativesshydroquinone (1,4-benzenediol) and pyrocatechol (1,2-benzenediol)shave been studied with Optically Heterodyne-Detected Optical Kerr-Effect (OHD-OKE) spectroscopy. The solvents, methanol and acetonitrile, were selected to provide strong and weak solvent-solute hydrogen-bonding interactions, respectively, while pyrocatechol features an intramolecular hydrogen bond. Together these provide a series of model systems for polypeptides such as polytyrosine, which facilitate the direct study of inter- and intramolecular hydrogen bonding. A broad contribution to the Raman spectral density of the methanol solutions at frequencies between 150 and 300 cm-1 has been observed that is absent in acetonitrile. This contribution has been assigned to solvent-solute hydrogen-bond stretching vibrations. The OHD-OKE response of poly-L-tyrosine has been measured and was found to contain a similar contribution. Density functional theory geometry optimizations and normal mode calculations have been performed using the B3LYP hybrid functional and 6-311++G** basis set. These have yielded a complete assignment of the low-frequency Raman and far-infrared spectra of pyrocatechol for the first time, which has provided information on the nature of the intramolecular hydrogen bond of pyrocatechol.
|Keywords:||inter- and intramolecular hydrogen bonding, phenol derivatives, poly-L-tyrosine, nanoscience, Solid state physics. Nanoscience, Materials Chemistry, Surfaces, Coatings and Films, Physical and Theoretical Chemistry|
|Subjects:||Science > Physics > Solid state physics. Nanoscience|
|Department:||Faculty of Science > Physics|
|Depositing user:||Strathprints Administrator|
|Date Deposited:||12 Mar 2007|
|Last modified:||29 Apr 2016 07:48|