A Determination of the Bond Dissociation Energy (D₀(H−SH)):  Threshold Ion-Pair Production Spectroscopy (TIPPS) of a Triatomic Molecule

Abstract

We present the first threshold ion-pair production spectrum of a triatomic molecule. We have recorded the ion-pair yield spectrum and TIPP spectrum for the H 2 S f H + +SHion-pair channel using single-photon excitation. From the TIPP spectrum, we have determined the H-SH bond energy (31451 ( 4 cm -1 ) to unprecedented accuracy and demonstrated the formation of weakly bound H + -SH -(J′) ion-pair states, with rotational excitation of the SHanion up to J′ ) 4. The bound nature of these states, and the assigned spectrum that results from their field dissociation suggests that this technique can be applied to many other triatomic and larger polyatomic molecules in the future, leading to energetic, spectroscopic, and dynamical information about these species.

H2S adsorption and decomposition on the gradually reduced α-Fe2O3(001) surface: A DFT study

“…H 2 S and HS molecules were optimized in a 10 Å cubic crystal. The structure parameters and bond dissociation energies from our work were listed in Table 2, which agree well with previous experimental and computational results [52][53][54]. This indicates that these molecules are described accurately by the present methods.…”

Low energy electron collisions in H2S and H2Se: Structure in dissociative attachment cross-sections

“…Within the electron energy resolution (0.040 eV), HS − crosssection versus electron energy (Fig. 2a), presents a vertical onset at 1.60 ± 0.02 eV (most probable value of the electron energy), a value in excellent agreement with the thermodynamical threshold (D-AE) = 1.58 eV, using HS electron affinity AE = 2.317 eV [17] and the dissociation energy D(H 2 S → H 2 S + HS 2 ) = 3.899 eV [18]. In contrast with earlier results performed at lower electron energy resolution [3], the existence of a vertical onset is a clear indication that the potential surface reached at this energy is attractive.…”

Kinetic studies of the reaction NH2+H2S

“…Correction for the spin-orbit splitting in SH yields D r H 0 = À68.1 kJ mol À1 , which compares well with the experimental value of À67.3 kJ mol À1 [13,14]. This is consistent with the root-mean-square deviation of 2.4 kJ mol À1 for application of W1Usc theory to a test set of divers energies [11].…”