Laboratory optical spectroscopy of the thiophenoxy radical and its profile simulation as a diffuse interstellar band based on rotational distribution by radiation and collisions

The gas-phase optical absorption spectrum of the thiophenoxy radical (C₆H₅S), a diffuse interstellar band (DIB) candidate molecule, was observed in the discharge of thiophenol using a cavity ringdown spectrometer. The ground-state rotational constants of the thiophenoxy radical were theoretically calculated, and the excited-state rotational constants were determined from the observed rotational profile. The rotational profile of a near prolate molecule having C _2v symmetry was simulated on the basis of a rotational distribution model by radiation and collisions. Although the simulated profile did not agree with the observed DIBs, the upper limit of the column density for the thiophenoxy radical in the diffuse clouds toward HD 204827 was evaluated to be 2 × 10¹³ cm^–2. The profile simulation indicates that rotational distribution by radiation and collisions is important to reproduce a rotational profile for a DIB candidate and that the near prolate C _2v molecule is a possible candidate for DIB with a band width variation dependent on the line of sight.