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Pure Rotational Spectrum and Model Calculations of Anisole−Ammonia

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journal contribution
posted on 31.12.2009, 00:00 by Barbara M. Giuliano, Assimo Maris, Sonia Melandri, Walther Caminati
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···O, CMe−H···N, and N−H···π contacts.