Abstract
The rotational spectrum of isothiocyanic acid was measured for the isotopically enriched species H 15NCS and HN 13CS as well as HNC 34S in natural abundance. In the frequency range from 8 to 240 GHz the a-type R-branch transitions were measured for all three isotopic species. The q Q 1 transitions were identified in the microwave region for H 15NCS and HN 13CS. The rotational and centrifugal distortion constants were determined using Watson's Hamiltonian in the S reduction, extended empirically to higher order terms in the angular momentum. The molecular structure of isothiocyanic acid was reevaluated using a modified substitution method and the NCS chain was found to be bent: r( NH) = 0.993 A ̊ , r( NC) = 1.207 A ̊ , r( CS) = 1.5665 A ̊ , ∠HNC = 131.7°, and ∠NCS = 173.8°. The molecule has the trans conformation.
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