Literature DB >> 29880977

Is the gas-phase OH+H2CO reaction a source of HCO in interstellar cold dark clouds? A kinetic, dynamic and modelling study.

A J Ocaña1, E Jiménez1,2, B Ballesteros1,2, A Canosa3, M Antiñolo2, J Albaladejo1,2, M Agúndez4, J Cernicharo4, A Zanchet5, P Del Mazo5, O Roncero5, A Aguado6.   

Abstract

Chemical kinetics of neutral-neutral gas-phase reactions at ultralow temperatures is a fascinating research subject with important implications on the chemistry of complex organic molecules in the interstellar medium (T∼10-100K). Scarce kinetic information is currently available for this kind of reactions at T<200 K. In this work we use the CRESU (Cinétique de Réaction en Ecoulement Supersonique Uniforme, which means Reaction Kinetics in a Uniform Supersonic Flow) technique to measure for the first time the rate coefficients (k) of the gas-phase OH+H2CO reaction between 22 and 107 K. k values greatly increase from 2.1×10-11 cm3 s-1 at 107 K to 1.2×10-10 cm3 s-1 at 22 K. This is also confirmed by quasi-classical trajectories (QCT) at collision energies down to 0.1 meV performed using a new full dimension and ab initio potential energy surface, recently developed which generates highly accurate potential and includes long range dipole-dipole interactions. QCT calculations indicate that at low temperatures HCO is the exclusive product for the OH+H2CO reaction. In order to revisit the chemistry of HCO in cold dense clouds, k is reasonably extrapolated from the experimental results at 10K (2.6×10-10 cm3 s-1). The modeled abundances of HCO are in agreement with the observations in cold dark clouds for an evolving time of 105-106 yrs. The different sources of production of HCO are presented and the uncertainties in the chemical networks discussed. This reaction can be expected to be a competitive process in the chemistry of prestellar cores. The present reaction is shown to account for a few percent of the total HCO production rate. Extensions to photodissociation regions and diffuse clouds environments are also commented.

Entities:  

Keywords:  Astrochemistry; ISM:abundances; ISM:molecules; Interstellar Clouds; Molecular processes

Year:  2017        PMID: 29880977      PMCID: PMC5988043          DOI: 10.3847/1538-4357/aa93d9

Source DB:  PubMed          Journal:  Astrophys J        ISSN: 0004-637X            Impact factor:   5.874


  12 in total

1.  Revisiting Adiabatic Switching for Initial Conditions in Quasi-Classical Trajectory Calculations: Application to CH4.

Authors:  Chen Qu; Joel M Bowman
Journal:  J Phys Chem A       Date:  2016-02-23       Impact factor: 2.781

2.  Comparison of Three Isoelectronic Multiple-Well Reaction Systems: OH + CH2O, OH + CH2CH2, and OH + CH2NH.

Authors:  Mohamad Akbar Ali; John R Barker
Journal:  J Phys Chem A       Date:  2015-04-16       Impact factor: 2.781

3.  F+OH reactive collisions on new excited 3A" and 3A' potential-energy surfaces.

Authors:  Susana Gómez-Carrasco; Octavio Roncero; Lola González-Sánchez; M Luz Hernández; José M Alvariño; Miguel Paniagua; Alfredo Aguado
Journal:  J Chem Phys       Date:  2005-09-15       Impact factor: 3.488

4.  Accelerated chemistry in the reaction between the hydroxyl radical and methanol at interstellar temperatures facilitated by tunnelling.

Authors:  Robin J Shannon; Mark A Blitz; Andrew Goddard; Dwayne E Heard
Journal:  Nat Chem       Date:  2013-06-30       Impact factor: 24.427

5.  A comparative study of the Au + H₂, Au⁺ + H₂, and Au⁻ + H₂ systems: Potential energy surfaces and dynamics of reactive collisions.

Authors:  Anaís Dorta-Urra; Alexandre Zanchet; Octavio Roncero; Alfredo Aguado
Journal:  J Chem Phys       Date:  2015-04-21       Impact factor: 3.488

6.  Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature.

Authors:  Willem Siebrand; Zorka Smedarchina; Emilio Martínez-Núñez; Antonio Fernández-Ramos
Journal:  Phys Chem Chem Phys       Date:  2016-08-10       Impact factor: 3.676

7.  First evidence of the dramatic enhancement of the reactivity of methyl formate (HC(O)OCH3) with OH at temperatures of the interstellar medium: a gas-phase kinetic study between 22 K and 64 K.

Authors:  E Jiménez; M Antiñolo; B Ballesteros; A Canosa; J Albaladejo
Journal:  Phys Chem Chem Phys       Date:  2015-12-22       Impact factor: 3.676

8.  On the importance of prereactive complexes in molecule-radical reactions: hydrogen abstraction from aldehydes by OH.

Authors:  J R Alvarez-Idaboy; N Mora-Diez; R J Boyd; A Vivier-Bunge
Journal:  J Am Chem Soc       Date:  2001-03-07       Impact factor: 15.419

9.  Observation of a large negative temperature dependence for rate coefficients of reactions of OH with oxygenated volatile organic compounds studied at 86-112 K.

Authors:  Robin J Shannon; Sally Taylor; Andrew Goddard; Mark A Blitz; Dwayne E Heard
Journal:  Phys Chem Chem Phys       Date:  2010-09-22       Impact factor: 3.676

10.  Reactivity of OH and CH3OH Between 22 and 64 K: Modelling the Gas Phase Production of CH3O in Barnard 1B.

Authors:  M Antiñolo; M Agúndez; E Jiménez; B Ballesteros; A Canosa; G El Dib; J Albaladejo; J Cernicharo
Journal:  Astrophys J       Date:  2016-05-20       Impact factor: 5.874

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  6 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.  Experimental and theoretical investigation on the OH + CH3C(O)CH3 reaction at interstellar temperatures (T=11.7-64.4 K).

Authors:  Sergio Blázquez; Daniel González; Alberto García-Sáez; María Antiñolo; Astrid Bergeat; Françoise Caralp; Raphaël Mereau; André Canosa; Bernabé Ballesteros; José Albaladejo; Elena Jiménez
Journal:  ACS Earth Space Chem       Date:  2019-08-12       Impact factor: 3.475

3.  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

4.  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

5.  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

6.  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

  6 in total

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