Photodetachment-photoelectron spectroscopy of HS-·H2S and DS-·D2S: the transition states of the SH + H2S and SD + D2S reactions

The transition state region for neutral hydrogen transfer reactions can be accessed by photodetachment of a stable neg. ion with a geometry similar to that of the neutral transition state. In this work the SH + H2S and SD + D2S reactions are investigated by photodetachment-photoelectron spectroscopy of HS-·H2S and DS-·D2S. The spectra exhibit vibrational structure which is attributed to the antisym. stretching mode (H-atom motion) of the neutral transitions state for H-atom transfer. The spectra are compared to one-dimensional simulations performed using a wave packet propagation scheme. Electronic structure calcns. of the anionic, neutral and transition-state geometries and calcns. of the vertical detachment energy at different levels of theory are used to support the anal. of the spectra. A vertical detachment energy VDE of 3.06 eV has been detd. [on SciFinder(R)]     «

The transition state region for neutral hydrogen transfer reactions can be accessed by photodetachment of a stable neg. ion with a geometry similar to that of the neutral transition state. In this work the SH + H2S and SD + D2S reactions are investigated by photodetachment-photoelectron spectroscopy of HS-·H2S and DS-·D2S. The spectra exhibit vibrational structure which is attributed to the antisym. stretching mode (H-atom motion) of the neutral transitions state for H-atom transfer. The spectra...     »

Molecular structure determination methods (calcn. photodetachment-photoelectron spectroscopy of HS-·H2S and DS-·D2S and transition states of SH + H2S and SD + D2S reactions) Bond angle Bond length Cluster ions Electron photodetachment Electronic structure Energy level Hydrogen transfer Hydrogen transfer kinetics Photoelectron spectra Potential energy surface Simulation and Modeling Stability Transition state structure Wave packets (photodetachment-photoelectron spectroscopy of HS-·H2S and DS-·D2S and transition states of SH + H2S and SD + D2S reactions) Energy (vertical detachment photodetachment-photoelectron spectroscopy of HS-·H2S and DS-·D2S and transition states of SH + H2S and SD + D2S reactions) photodetachment photoelectron spectroscopy hydrogen deuterium sulfide transition state reaction     «

Molecular structure determination methods (calcn. photodetachment-photoelectron spectroscopy of HS-·H2S and DS-·D2S and transition states of SH + H2S and SD + D2S reactions) Bond angle Bond length Cluster ions Electron photodetachment Electronic structure Energy level Hydrogen transfer Hydrogen transfer kinetics Photoelectron spectra Potential energy surface Simulation and Modeling Stability Transition state structure Wave packets (photodetachment-photoelectron spectroscopy of HS-·H2S and DS-·D2...     »

CAN 153:590225 Catalysis, Reaction Kinetics, and Inorganic Reaction Mechanisms 35087-91-3; 1253696-49-9 Role: FMU (Formation, unclassified), PEP (Physical, engineering or chemical process), PRP (Properties), RCT (Reactant), FORM (Formation, nonpreparative), PROC (Process), RACT (Reactant or reagent) (photodetachment-photoelectron spectroscopy of HS-·H2S and DS-·D2S and transition states of SH + H2S and SD + D2S reactions); 7783-06-4 (Hydrogen sulfide); 13536-94-2 (Deuterium sulfide); 15035-72-0 (Sulfide (HS1-)); 20666-24-4 (Sulfide (DS1-)) Role: PEP (Physical, engineering or chemical process), PRP (Properties), RCT (Reactant), PROC (Process), RACT (Reactant or reagent) (photodetachment-photoelectron spectroscopy of HS-·H2S and DS-·D2S and transition states of SH + H2S and SD + D2S reactions)     «

CAN 153:590225 Catalysis, Reaction Kinetics, and Inorganic Reaction Mechanisms 35087-91-3; 1253696-49-9 Role: FMU (Formation, unclassified), PEP (Physical, engineering or chemical process), PRP (Properties), RCT (Reactant), FORM (Formation, nonpreparative), PROC (Process), RACT (Reactant or reagent) (photodetachment-photoelectron spectroscopy of HS-·H2S and DS-·D2S and transition states of SH + H2S and SD + D2S reactions); 7783-06-4 (Hydrogen sulfide); 13536-94-2 (Deuterium sulfide); 15035-7...     »