Transition state dynamics of the OH+OH→O+H2O reaction studied by dissociative photodetachment of H2O2−

Autor:	Hans-Jürgen Deyerl, Todd G. Clements, Robert E. Continetti, A. Khai Luong
Rok vydání:	2001
Předmět:	Chemistry Radical Photodissociation General Physics and Astronomy Dissociation (chemistry) Ion Photoexcitation Potential energy surface Physics::Atomic and Molecular Clusters Physics::Chemical Physics Physical and Theoretical Chemistry Atomic physics Spectroscopy Excitation
Zdroj:	The Journal of Chemical Physics. 115:6931-6940
ISSN:	1089-7690 0021-9606
Popis:	Photoelectron-photofragment coincidence (PPC) spectroscopy has been used to study the dissociative photodetachment of H2O2− and D2O2−. The observed partitioning of photoelectron and photofragment translational energies provides information on the dynamics in the transition state region of the reaction between two hydroxyl radicals: OH+OH→O(3P)+H2O. The data reveal vibrationally resolved product translational energy distributions for both the entrance channel OH+OH and the exit channel O(3P)+H2O upon photodetachment. The total translational energy distribution shows a convoluted vibrational progression consistent with antisymmetric stretch excitation of H2O in the exit channel and OH stretch in the entrance channel. The photoelectron spectra are compared to two-dimensional time-dependent wave packet dynamics simulations based on an anharmonic potential in the anion and a model collinear potential energy surface for the neutral complex. The PPC spectra also yield the dissociation energies D0(H2O2−→H2O+O−)=1...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::2390e424e8c8272f012f088adfa66bf4 https://doi.org/10.1063/1.1404148 Zobrazit plný text záznamu