N lone-pair⋯π interaction: a rotational study of chlorotrifluoroethylene⋯ammonia

Literature Information

Publication Date 2014-11-28
DOI 10.1039/C4CP05167J
Impact Factor 3.676
Authors

Qian Gou, Lorenzo Spada, Yannick Geboes, Wouter A. Herrebout, Sonia Melandri, Walther Caminati


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Abstract

The rotational spectra of four isotopologues of the adduct C2F3Cl–NH3 show that NH3 is bound to the partner molecule through a (N)lone-pair⋯π interaction. Ammonia is located in proximity to the C2 atom (the one linked to two fluorine atoms), with the C2⋯N distance = 2.987(2) Å. The nuclear hyperfine structure due to the quadrupole coupling effects of 35Cl/37Cl and 14N nuclei has been fully resolved. The 14N quadrupole coupling constants allow estimating the effective orientation of NH3 in the complex.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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