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Issue 43, 2010
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Internal dynamics in complexes of water with organic molecules. Details of the internal motions in tert-butylalcohol–water

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Abstract

The peculiar propensity of water to have a high internal dynamic activity in its molecular complexes with organic molecules is described in this paper. Often, the corresponding large amplitude motions are reflected in the tunnelling splittings of the rotational transitions which, in turn, provide information for the determination of the potential energy surfaces and of the noncovalent interactions of water with a variety of atoms and/or functional groups. A classification of this kind of molecular complexes is given, also in relation to the tunnelling features of the rotational spectra. As a specific example, the rotational spectrum of tert-butylalcohol–water, investigated by Fourier transform microwave spectroscopy, is reported. Details are given of the large amplitude motions which take place in the adduct, the internal rotation of the hydroxyl group and the oscillations of the water molecule, by interpreting the experimental data with a flexible model.

Graphical abstract: Internal dynamics in complexes of water with organic molecules. Details of the internal motions in tert-butylalcohol–water

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Publication details

The article was received on 15 Jul 2010, accepted on 21 Sep 2010, published on 13 Oct 2010 and first published online on 13 Oct 2010


Article type: Perspective
DOI: 10.1039/C0CP01195A
Citation: Phys. Chem. Chem. Phys., 2010,12, 14433-14441
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    Internal dynamics in complexes of water with organic molecules. Details of the internal motions in tert-butylalcohol–water

    L. Evangelisti and W. Caminati, Phys. Chem. Chem. Phys., 2010, 12, 14433
    DOI: 10.1039/C0CP01195A

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