On the Cl   C halogen bond: a rotational study of CF3Cl-CO

Caminati, Walther; Evangelisti, Luca; Feng, Gang; Giuliano, Barbara M.; Gou, Qian; Melandri, Sonia; Grabow, Jens-Uwe

Original version

Caminati, Walther; Evangelisti, Luca; Feng, Gang; Giuliano, Barbara M.; Gou, Qian et al.: On the Cl C halogen bond: a rotational study of CF3Cl-CO. In: Physical chemistry chemical physics : PCCP 18 (2016), Nr. 27, S. 17851-17855. DOI: http://dx.doi.org/10.1039/C6CP01059H

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Abstract:
The rotational spectra of two isotopologues (CF3(35)Cl-CO and CF3(37)Cl-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 ((35)Cl and (37)Cl) coupling constants have been precisely obtained from high-resolution measurements. The two subunits of the complex are held together via a ClC halogen bond interaction. Information on the internal dynamics and the dissociation energy of the complex is provided.
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Publication type:	Article
Publishing status:	publishedVersion
Publication date:	2016
Keywords english:	halogen, microwave spectroscopy, CF3Cl–CO
DDC:	540 \| Chemie