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Issue 27, 2016
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On the Cl⋯C halogen bond: a rotational study of CF3Cl–CO

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Abstract

The rotational spectra of two isotopologues (CF335Cl–CO and CF337Cl–CO) of the CF3Cl–CO adduct have been investigated and analyzed using supersonic-jet Fourier transform microwave spectroscopy, and found to have the features of a symmetric top. Rotational, centrifugal distortion, and nuclear quadrupole (35Cl and 37Cl) coupling constants have been precisely obtained from high-resolution measurements. The two subunits of the complex are held together via a Cl⋯C halogen bond interaction. Information on the internal dynamics and the dissociation energy of the complex is provided.

Graphical abstract: On the Cl⋯C halogen bond: a rotational study of CF3Cl–CO

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Publication details

The article was received on 16 Feb 2016, accepted on 13 Mar 2016 and first published on 17 Mar 2016


Article type: Paper
DOI: 10.1039/C6CP01059H
Citation: Phys. Chem. Chem. Phys., 2016,18, 17851-17855
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    On the Cl⋯C halogen bond: a rotational study of CF3Cl–CO

    W. Caminati, L. Evangelisti, G. Feng, B. M. Giuliano, Q. Gou, S. Melandri and J. Grabow, Phys. Chem. Chem. Phys., 2016, 18, 17851
    DOI: 10.1039/C6CP01059H

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