N lone-pair center dot center dot center dot pi interaction: a rotational study of chlorotrifluoroethylene center dot center dot center dot ammonia

作者：Gou Qian; Spada Lorenzo; Geboes Yannick; Herrebout Wouter A; Melandri Sonia; Caminati Walther^*

来源：Physical Chemistry Chemical Physics, 2015, 17(12): 7694-7698.

DOI：10.1039/c4cp05167j

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 . . .pi 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) angstrom. The nuclear hyperfine structure due to the quadrupole coupling effects of Cl-35/Cl-37 and N-14 nuclei has been fully resolved. The N-14 quadrupole coupling constants allow estimating the effective orientation of NH3 in the complex.

• 出版日期2015