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 p 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.
Gou, Q., Spada, L., Geboes, Y., Herrebout, W.A., Melandri, S., Caminati, W. (2015). N lone-pair⋯π interaction: a rotational study of chlorotrifluoroethylene⋯ammonia. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17(12), 7694-7698 [10.1039/C4CP05167J].
N lone-pair⋯π interaction: a rotational study of chlorotrifluoroethylene⋯ammonia
GOU, QIAN;SPADA, LORENZO;GEBOES, YANNICK;MELANDRI, SONIA;CAMINATI, WALTHER
2015
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 p 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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
