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Issue 26, 2015
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Internal dynamics in the molecular complex of CF3CN and H2O

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Abstract

The rotational spectrum of trifluoroacetonitrile–water complex has been studied by pulsed-nozzle, Fourier transform microwave spectroscopy. Both a-type and b-type transitions have been observed. The rotational constants, centrifugal distortion constants, and the 14N nuclear quadrupole coupling constants have been determined. The complex is T-shaped, with the oxygen atom from the water located 3.135 Å from the carbon atom of CF3 of the trifluoroacetonitrile molecule.

Graphical abstract: Internal dynamics in the molecular complex of CF3CN and H2O

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Publication details

The article was received on 17 Mar 2015, accepted on 29 May 2015 and first published on 01 Jun 2015


Article type: Paper
DOI: 10.1039/C5CP01550B
Author version available: Download Author version (PDF)
Citation: Phys. Chem. Chem. Phys., 2015,17, 17266-17270
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    Internal dynamics in the molecular complex of CF3CN and H2O

    W. Lin, A. Wu, X. Lu, X. Tang, D. A. Obenchain and S. E. Novick, Phys. Chem. Chem. Phys., 2015, 17, 17266
    DOI: 10.1039/C5CP01550B

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