Electronic Supplementary Material for Hydrogen-atom-assisted thione-thiol tautomerization of thiourea derivatives in para-H2 matrix

Contains sections of the MIR difference spectra of TU as well as NMTU in para-H2 matrix after the first H atom generation; the MIR spectrum of anti- and syn-NMTU deposited in para-H2; text summarizing and tables listing the zero-point corrected computed energy levels of the H-atom addition as well as -abstraction products and the transition states (if any) of TU and NMTU, respectively.