Literature DB >> 29492495

Comment on "Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature" by W. Siebrand, Z. Smedarchina, E. Martínez-Núñez and A. Fernández-Ramos, Phys. Chem. Chem. Phys., 2016, 18, 22712.

R J Shannon1, J C Gómez Martín1, R L Caravan1, M A Blitz2, J M C Plane2, D E Heard2, M Antiñolo3, M Agúndez4, E Jiménez3, B Ballesteros3, A Canosa5, G El Dib5, J Albaladejo6, J Cernicharo4.   

Abstract

The article "Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature" proposes a dimer mediated mechanism in order to explain the large low temperature rate coefficients for the OH + methanol reaction measured by several groups. It is demonstrated here theoretically that under the conditions of these low temperature experiments, there are insufficient dimers formed for the proposed new mechanism to apply. Experimental evidence is also presented to show that dimerization of the methanol reagent does not influence the rate coefficients reported under the conditions of methanol concentration used for the kinetics studies. It is also emphasised that the low temperature experiments have been performed using both the Laval nozzle expansion and flow-tube methods, with good agreement found for the rate coefficients measured using these two distinct techniques.

Entities:  

Year:  2018        PMID: 29492495     DOI: 10.1039/c7cp04561a

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  4 in total

1.  Gas-phase kinetics of CH3CHO with OH radicals between 11.7 and 177.5 K.

Authors:  Sergio Blázquez; Daniel González; Elias M Neeman; Bernabé Ballesteros; Marcelino Agúndez; André Canosa; José Albaladejo; José Cernicharo; Elena Jiménez
Journal:  Phys Chem Chem Phys       Date:  2020-09-23       Impact factor: 3.676

2.  Quantum Roaming in the Complex-Forming Mechanism of the Reactions of OH with Formaldehyde and Methanol at Low Temperature and Zero Pressure: A Ring Polymer Molecular Dynamics Approach.

Authors:  Pablo Del Mazo-Sevillano; Alfredo Aguado; Elena Jiménez; Yury V Suleimanov; Octavio Roncero
Journal:  J Phys Chem Lett       Date:  2019-04-04       Impact factor: 6.475

3.  Gas-phase reactivity of CH3OH toward OH at interstellar temperatures (11.7-177.5 K): experimental and theoretical study.

Authors:  Antonio J Ocaña; Sergio Blázquez; Alexey Potapov; Bernabé Ballesteros; André Canosa; María Antiñolo; Luc Vereecken; José Albaladejo; Elena Jiménez
Journal:  Phys Chem Chem Phys       Date:  2019-03-27       Impact factor: 3.676

4.  Low temperature reaction dynamics for CH3OH + OH collisions on a new full dimensional potential energy surface.

Authors:  Octavio Roncero; Alexandre Zanchet; Alfredo Aguado
Journal:  Phys Chem Chem Phys       Date:  2018-10-17       Impact factor: 3.676

  4 in total

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