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Issue 21, 2001
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IR–UV investigation of the structure of the 1-phenylethanol chromophore and its hydrated complexes

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Abstract

The structure of the 1-phenylethanol molecule and its hydrated complexes has been investigated by means of laser-induced fluorescence and IR fluorescence-dip spectroscopy in the region of the OH vibration, coupled with DFT calculations. The isolated chromophore has a gauche conformation with the OH group slightly interacting with the aromatic cycle. In the singly hydrated complex, the water molecule acts as a proton acceptor from the OH group of the chromophore and is involved as a donor in the OH–π interaction with the aromatic ring. The 1:2 water complex consists of a water dimer acting as an acceptor from the OH group of 1-phenylethanol and as a donor to its aromatic ring.

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Publication details

The article was received on 07 Jun 2001, accepted on 10 Sep 2001 and first published on 08 Oct 2001


Article type: Paper
DOI: 10.1039/B105036M
Citation: Phys. Chem. Chem. Phys., 2001,3, 4684-4688
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    IR–UV investigation of the structure of the 1-phenylethanol chromophore and its hydrated complexes

    K. Le Barbu, F. Lahmani, M. Mons, M. Broquier and A. Zehnacker, Phys. Chem. Chem. Phys., 2001, 3, 4684
    DOI: 10.1039/B105036M

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