Vollständige rs -und r0 -Struktur, 14N-Kernquadrupol-HFS und Dipolmoment von Methylthiocyanat aus dem Mikrowellenspektrum

Abstract

Abstract The microwave rotational spectra of five isotopic species of the molecule methyl thiocyanate, CH3SCN, have been observed in the region between 7 and 33 GHz. From the rotational constants of these and two other species whose spectra were previously known a complete rs-structure of the molecule could be determined which is compared with several r0-structures obtained subject to certain assumptions. The dipole moment components μa and μb could be determined inclusive of relative sign. The 14N quadrupole coupling tensor, complete with the only non-vanishing non-diagonal element χab, could be evaluated from the HFS of the lines and its change upon isotopic substitution.