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Inter- and intramolecular hydrogen bonding in phenol derivatives: A model system for poly-L-tyrosine

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 1520-6106

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Abstract

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.

Item type: Article
ID code: 2968
Keywords: inter- and intramolecular hydrogen bonding, phenol derivatives, poly-L-tyrosine, nanoscience, Solid state physics. Nanoscience
Subjects: Science > Physics > Solid state physics. Nanoscience
Department: Faculty of Science > Physics
Related URLs:
    Depositing user: Strathprints Administrator
    Date Deposited: 12 Mar 2007
    Last modified: 16 Jul 2013 18:57
    URI: http://strathprints.strath.ac.uk/id/eprint/2968

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