𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Effect of reagent rotation on the dynamics of the O+ + H2 ion—molecule reaction and isotopic variants

✍ Scribed by Miguel González; Miquel Gilibert; Antonio Aguilar; R. Sayós

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
836 KB
Volume
204
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

The moderately exotherrnic ion-molecule reaction O+ t Hz and its isotopic variants have been the subject of several dynamical studies in our group. In this work we report an extensive quasiclassical trajectory study on the dynamics of this system at different initial relative energies considering a wide range of initial J quantum rotational numbers of the Hz, Dz or HD reactant molecules. The observed cross section S, versus Jcurves can be well rationalized in terms of competing orientational and energy effects, but the behaviour of the fraction of OH+ molecules produced in the O+ +HD reaction with J admits no simple explanation. The observed trends tend to smooth out at higher energies, in accordance with theoretical expectations.

📜 SIMILAR VOLUMES

Photoinitiation of the O− + H2O→OH−+OH i
Photoinitiation of the O− + H2O→OH−+OH ion—molecule reaction within the O−2·H2O binary complex
✍ Mark A. Buntine; David J. Lavrich; Caroline E. Dessent; M.Georgina Scarton; Mark 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 689 KB

We report the observation of the O-+H,O+OH-+OH ion-molecule reaction following photodissociation of 0, within the 0: .H20 ion-dipole complex. Photoexcitation of the 0~ A % ,+X 'lIn dissociative transition in the 200-300 nm region initiates the reaction. The 0-'H20 reaction intermediate is the domina

Effect of orbital and rotational angular
Effect of orbital and rotational angular momentum averaging on branching ratios of dynamical resonances in the reaction H+p-H2→o-H2+H
✍ Mirjana Mladenovic; Meishan Zhao; Donald G. Truhlar; David W. Schwenke; Yan Sun; 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 498 KB

We report extensive quantum mechanical calculations of the product vibrational branching ratios in the title reaction. The calculations involve total angular momenta up to 2 and excited as well as ground initial rotational states, and they are completely converged with up to 513 channels in individu

Studies on the effect of the cation natu
Studies on the effect of the cation nature on the kinetics of the isotopic exchange reaction between chloride ion and O,O-diphenylphosphorochloridothionate in acetonitrile
✍ W. Reimschüssel; S. Tilk; M. Mikołajczyk; H. Ślebocka-tilk 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 383 KB 👁 1 views

Rate constants and activation parameters for the isotopic exchange reactions between (Ph0)2PSCl and M:Wl (M = MedN+, Et4N+, n-BudN+, Et,,HN+, EtH:,N+, Li+) in acetonitrile were measured in order to find the effect of the cation nature on the kinetics of the reaction. T h e rate constants measured fo