Structure of aniline–X (X=Ar, 20Ne, 22Ne) from high resolution microwave spectroscopy data Original Research Article

The rotational spectra of aniline, C6H7N, complexed with Ar, 20Ne and 22Ne were measured for the first time in the spectral region 1–18 GHz employing pulsed molecular beam Fourier transform microwave spectroscopy (MB-FTMW). Their analysis yielded rotational, centrifugal distortion and 14N quadrupole coupling constants for the respective van der Waals complexes. The cluster structure was evaluated by the r0- and rs-methods. In addition a specific model was applied which takes the van der Waals bending vibrations into account. Four possible positions of the rare gas atom are consistent with the moments of inertia of the complex. From the diagonal elements of the two Ne isotopomers the off-diagonal element χab and subsequently the principal nitrogen coupling tensor elements could be evaluated, too.