Journal of Physical Chemistry A, Vol.113, No.52, 14277-14280, 2009
Pure Rotational Spectrum and Model Calculations of Anisole-Ammonia
The rotational spectra of two isotopologues of the anisole-ammonia molecular complex have been measured with the pulsed-jet Fourier transform microwave technique. The obtained rotational and quadrupole coupling constants provide an unequivocal conformational assignment. The NH3 group lies out of the plane of the aromatic ring and it is bonded to anisole via three weak, N-H center dot center dot center dot O, C-Me-H center dot center dot center dot N, and N-H center dot center dot center dot pi contacts.