A combined theoretical treatment of T(1)-->S(0) intersystem crossing and intramolecular vibrational redistribution in thiophosgene

We combine our two recent theoretical approaches for electronic relaxation T(1)-->S(0) and vibrational relaxation processes in thiophosgene (SCCl(2)) to provide a more detailed picture of the intersystem crossing (ISC) and phosphorescence from the first triplet T(1). Our analysis shows that ISC is not a true irreversible decay and should lead to violent phosphorescence quantum beats that could be observed experimentally.