Theoretical study of the gas phase reaction of methyl acetate with the hydroxyl radical: Structures, mechanisms, rates and temperature dependencies

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Standard

Theoretical study of the gas phase reaction of methyl acetate with the hydroxyl radical: Structures, mechanisms, rates and temperature dependencies. / Jørgensen, Solvejg; Andersen, Vibeke Friis; Nilsson, Elna Johanna Kristina; Nielsen, Ole John; Johnson, Matthew Stanley.

I: Chemical Physics Letters, Bind 490, Nr. 4-6, 2010, s. 116-122.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Harvard

Jørgensen, S, Andersen, VF, Nilsson, EJK, Nielsen, OJ & Johnson, MS 2010, 'Theoretical study of the gas phase reaction of methyl acetate with the hydroxyl radical: Structures, mechanisms, rates and temperature dependencies', Chemical Physics Letters, bind 490, nr. 4-6, s. 116-122. https://doi.org/10.1016/j.cplett.2010.03.031

APA

Jørgensen, S., Andersen, V. F., Nilsson, E. J. K., Nielsen, O. J., & Johnson, M. S. (2010). Theoretical study of the gas phase reaction of methyl acetate with the hydroxyl radical: Structures, mechanisms, rates and temperature dependencies. Chemical Physics Letters, 490(4-6), 116-122. https://doi.org/10.1016/j.cplett.2010.03.031

Vancouver

Jørgensen S, Andersen VF, Nilsson EJK, Nielsen OJ, Johnson MS. Theoretical study of the gas phase reaction of methyl acetate with the hydroxyl radical: Structures, mechanisms, rates and temperature dependencies. Chemical Physics Letters. 2010;490(4-6):116-122. https://doi.org/10.1016/j.cplett.2010.03.031

Author

Jørgensen, Solvejg ; Andersen, Vibeke Friis ; Nilsson, Elna Johanna Kristina ; Nielsen, Ole John ; Johnson, Matthew Stanley. / Theoretical study of the gas phase reaction of methyl acetate with the hydroxyl radical: Structures, mechanisms, rates and temperature dependencies. I: Chemical Physics Letters. 2010 ; Bind 490, Nr. 4-6. s. 116-122.

Bibtex

@article{b47ad8609bc011df928f000ea68e967b,
title = "Theoretical study of the gas phase reaction of methyl acetate with the hydroxyl radical: Structures, mechanisms, rates and temperature dependencies",
abstract = "The reaction mechanism of hydrogen abstraction from methyl acetate by the hydroxyl radical is investigated theoretically. Four hydrogen abstraction reaction channels were found; the OH radical can abstract either the in-plane or the out-of-plane hydrogen atom on either the methyl group or the methoxy group of methyl acetate. There is a ∼95% probability that the OH radical abstracts an out-of-plane hydrogen atom from the methoxy group.",
author = "Solvejg J{\o}rgensen and Andersen, {Vibeke Friis} and Nilsson, {Elna Johanna Kristina} and Nielsen, {Ole John} and Johnson, {Matthew Stanley}",
year = "2010",
doi = "10.1016/j.cplett.2010.03.031",
language = "English",
volume = "490",
pages = "116--122",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",
number = "4-6",

}

RIS

TY - JOUR

T1 - Theoretical study of the gas phase reaction of methyl acetate with the hydroxyl radical: Structures, mechanisms, rates and temperature dependencies

AU - Jørgensen, Solvejg

AU - Andersen, Vibeke Friis

AU - Nilsson, Elna Johanna Kristina

AU - Nielsen, Ole John

AU - Johnson, Matthew Stanley

PY - 2010

Y1 - 2010

N2 - The reaction mechanism of hydrogen abstraction from methyl acetate by the hydroxyl radical is investigated theoretically. Four hydrogen abstraction reaction channels were found; the OH radical can abstract either the in-plane or the out-of-plane hydrogen atom on either the methyl group or the methoxy group of methyl acetate. There is a ∼95% probability that the OH radical abstracts an out-of-plane hydrogen atom from the methoxy group.

AB - The reaction mechanism of hydrogen abstraction from methyl acetate by the hydroxyl radical is investigated theoretically. Four hydrogen abstraction reaction channels were found; the OH radical can abstract either the in-plane or the out-of-plane hydrogen atom on either the methyl group or the methoxy group of methyl acetate. There is a ∼95% probability that the OH radical abstracts an out-of-plane hydrogen atom from the methoxy group.

U2 - 10.1016/j.cplett.2010.03.031

DO - 10.1016/j.cplett.2010.03.031

M3 - Journal article

VL - 490

SP - 116

EP - 122

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 4-6

ER -

ID: 21086836