Literature DB >> 29498727

Reply to the 'Comment on "Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature"' by D. Heard, R. Shannon, J. Gomez Martin, R. Caravan, M. Blitz, J. Plane, M. Antiñolo, M. Agundez, E. Jimenez, B. Ballesteros, A. Canosa, G. El Dib, J. Albaladejo and J. Cernicharo, Phys. Chem. Chem. Phys., 2018, 20, DOI: 10.1039/C7CP04561A.

W Siebrand1, Z Smedarchina1, D Ferro-Costas2, E Martínez-Núñez3, A Fernández-Ramos2.   

Abstract

In this Reply we answer the two main arguments raised in the Comment. The first argument is related to the binding energy of the methanol dimer and its influence on the dimerization rate constant. We show that the dimerization rate constants calculated in the Comment are unphysically low. We report values that are about two orders of magnitude higher than the values of the Comment, which confirm the conclusions of the original article that dimers can be present in a small amount. The second argument based on the dependence of the pseudo-first order rates on the methanol concentration was already explained in detail in the Supporting Information of the original article.

Entities:  

Year:  2018        PMID: 29498727     DOI: 10.1039/c8cp00519b

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.  Zero- and high-pressure mechanisms in the complex forming reactions of OH with methanol and formaldehyde at low temperatures.

Authors:  Fedor Naumkin; Pablo Del Mazo-Sevillano; Alfredo Aguado; Yury V Suleimanov; Octavio Roncero
Journal:  ACS Earth Space Chem       Date:  2019-05-14       Impact factor: 3.475

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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