Relative rate study of the kinetic isotope effect in the 13CH3D + Cl reaction

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Standard

Relative rate study of the kinetic isotope effect in the 13CH3D + Cl reaction. / Joelsson, Lars Magnus Torvald; Forecast, Roslyn; Schmidt, Johan Albrecht; Meusinger, Carl; Nilsson, E.J.K.; Ono, S.; Johnson, Matthew Stanley.

I: Chemical Physics Letters, Bind 605-606, 2014, s. 152-157.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Harvard

Joelsson, LMT, Forecast, R, Schmidt, JA, Meusinger, C, Nilsson, EJK, Ono, S & Johnson, MS 2014, 'Relative rate study of the kinetic isotope effect in the 13CH3D + Cl reaction', Chemical Physics Letters, bind 605-606, s. 152-157. https://doi.org/10.1016/j.cplett.2014.05.022

APA

Joelsson, L. M. T., Forecast, R., Schmidt, J. A., Meusinger, C., Nilsson, E. J. K., Ono, S., & Johnson, M. S. (2014). Relative rate study of the kinetic isotope effect in the 13CH3D + Cl reaction. Chemical Physics Letters, 605-606, 152-157. https://doi.org/10.1016/j.cplett.2014.05.022

Vancouver

Joelsson LMT, Forecast R, Schmidt JA, Meusinger C, Nilsson EJK, Ono S o.a. Relative rate study of the kinetic isotope effect in the 13CH3D + Cl reaction. Chemical Physics Letters. 2014;605-606:152-157. https://doi.org/10.1016/j.cplett.2014.05.022

Author

Joelsson, Lars Magnus Torvald ; Forecast, Roslyn ; Schmidt, Johan Albrecht ; Meusinger, Carl ; Nilsson, E.J.K. ; Ono, S. ; Johnson, Matthew Stanley. / Relative rate study of the kinetic isotope effect in the 13CH3D + Cl reaction. I: Chemical Physics Letters. 2014 ; Bind 605-606. s. 152-157.

Bibtex

@article{286160836d5644d095472702e4233221,
title = "Relative rate study of the kinetic isotope effect in the 13CH3D + Cl reaction",
abstract = "The 13CH3D/12CH4kinetic isotope effect, α13CH3D, of CH4 + Cl is determined for the first time, using the relative rate technique and Fourier transform infrared (FTIR) spectroscopy. α13CH3D is found to be 1.60 ± 0.04. In addition, a quantum chemistry/transition state theory model with tunneling correction is constructed and the primary cause for α13CH3D is found to be the substantially reduced reactivity of the D atom, which, in turn, can be explained by a significant increase in the reaction barrier due to changes in the vibrational zero point energy and to a lesser extent tunneling.",
author = "Joelsson, {Lars Magnus Torvald} and Roslyn Forecast and Schmidt, {Johan Albrecht} and Carl Meusinger and E.J.K. Nilsson and S. Ono and Johnson, {Matthew Stanley}",
year = "2014",
doi = "10.1016/j.cplett.2014.05.022",
language = "English",
volume = "605-606",
pages = "152--157",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Relative rate study of the kinetic isotope effect in the 13CH3D + Cl reaction

AU - Joelsson, Lars Magnus Torvald

AU - Forecast, Roslyn

AU - Schmidt, Johan Albrecht

AU - Meusinger, Carl

AU - Nilsson, E.J.K.

AU - Ono, S.

AU - Johnson, Matthew Stanley

PY - 2014

Y1 - 2014

N2 - The 13CH3D/12CH4kinetic isotope effect, α13CH3D, of CH4 + Cl is determined for the first time, using the relative rate technique and Fourier transform infrared (FTIR) spectroscopy. α13CH3D is found to be 1.60 ± 0.04. In addition, a quantum chemistry/transition state theory model with tunneling correction is constructed and the primary cause for α13CH3D is found to be the substantially reduced reactivity of the D atom, which, in turn, can be explained by a significant increase in the reaction barrier due to changes in the vibrational zero point energy and to a lesser extent tunneling.

AB - The 13CH3D/12CH4kinetic isotope effect, α13CH3D, of CH4 + Cl is determined for the first time, using the relative rate technique and Fourier transform infrared (FTIR) spectroscopy. α13CH3D is found to be 1.60 ± 0.04. In addition, a quantum chemistry/transition state theory model with tunneling correction is constructed and the primary cause for α13CH3D is found to be the substantially reduced reactivity of the D atom, which, in turn, can be explained by a significant increase in the reaction barrier due to changes in the vibrational zero point energy and to a lesser extent tunneling.

U2 - 10.1016/j.cplett.2014.05.022

DO - 10.1016/j.cplett.2014.05.022

M3 - Journal article

AN - SCOPUS:84901930732

VL - 605-606

SP - 152

EP - 157

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

ER -

ID: 128738965