Theoretical Study on the Rotational Spectra of Ar‐D232S Complex

We report a theoretical study on the rotational spectra of Ar‐D232S. The intermolecular potential energy surface was transformed from our latest ab initio three‐dimensional potential of Ar‐H232S. The rotational energy levels and wavefunctions of the complex were calculated by using the radial discrete variable representation/angular finite basis representation method and the Lanczos algorithm. The calculated rotational transition frequencies and structural parameters were found to be in good agreement with the available experimental values.