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.
N lone-pair⋯π interaction: a rotational study of chlorotrifluoroethylene⋯ammonia / Gou, Qian; Spada, Lorenzo; Geboes, Yannick; Herrebout, Wouter A.; Melandri, Sonia; Caminati, Walther. - In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS. - ISSN 1463-9076. - STAMPA. - 17:12(2015), pp. 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.
