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 a 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∙∙∙pi contacts.
B. M. Giuliano, A. Maris, S. Melandri, W. Caminati (2009). Pure Rotational Spectrum and Model Calculations of Anisole−Ammonia. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, 113, 14277-14280 [10.1021/jp9026964].
Pure Rotational Spectrum and Model Calculations of Anisole−Ammonia
GIULIANO, BARBARA MICHELA;MARIS, ASSIMO;MELANDRI, SONIA;CAMINATI, WALTHER
2009
Abstract
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 a 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∙∙∙pi contacts.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
