Abstract
Rotational spectra of 5 isotopologues of (CH3)3N⋯SCO were observed by chirped-pulse, Fourier-transform microwave spectroscopy. Spectroscopic constants B0, DJ, DJK and the 14N nuclear quadrupole coupling constant χaa(14N) determined for the symmetric-top isotopologues (CH3)3N⋯SCO, (CH3)3N⋯34SCO, (CH3)3N⋯S13CO, (CD3)3N⋯SCO and (12CH3)2(13CH3)14N⋯SCO show that the intermolecular binding involves a chalcogen bond to S rather than O. Changes in various properties (the distance r(N⋯S) and the force constants kσ and kθθ associated with intermolecular stretching and angular oscillation θ of the trimethylamine subunit, respectively) from those of H3N⋯SCO allow for the effect of complete methylation of NH3 on the chalcogen bond to be assessed.
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