Kinetics and mechanism of the reaction of Cl atoms with nitrobenzene

L. Frøsig; O. J. Nielsen; M. Bilde; T. J. Wallington; J. J. Orlando; G. S. Tyndall

doi:10.1021/jp002696o

Kinetics and mechanism of the reaction of Cl atoms with nitrobenzene

L. Frøsig^*, O. J. Nielsen, M. Bilde, T. J. Wallington, J. J. Orlando, G. S. Tyndall

^*Corresponding author for this work

11 Citations (Scopus)

Abstract

Smog chamber/FTIR techniques were used to study the kinetics and mechanism of the reaction of Cl atoms with nitrobenzene (C₆H₅NO₂) in 10-700 Torr of N₂, or air, at 296 K. The reaction proceeds with a rate constant k(Cl + C₆H₅NO₂) = (9.3 ± 1.9) × 10^-13 cm³ molecule^-1 s^-1 to give C₆H₅Cl and NO₂ products in essentially 100% yield. The observed product yields suggest that the reaction proceeds via a displacement mechanism (probably addition followed by elimination). The UV-visible absorption spectrum of C₆H₅NO₂ was measured. Photolysis of C₆H₅NO₂ is estimated to occur at a rate of (3 ± 2) × 10^-5 s^-1 for a solar zenith angle of 25° (representative of a typical summer day at 40°N) and is likely to be the dominant atmospheric loss mechanism for C₆H₅NO₂.

Original language	English
Journal	Journal of Physical Chemistry A
Volume	104
Issue number	48
Pages (from-to)	11328-11331
Number of pages	4
ISSN	1089-5639
DOIs	https://doi.org/10.1021/jp002696o
Publication status	Published - 7 Dec 2000

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title = "Kinetics and mechanism of the reaction of Cl atoms with nitrobenzene",

abstract = "Smog chamber/FTIR techniques were used to study the kinetics and mechanism of the reaction of Cl atoms with nitrobenzene (C6H5NO2) in 10-700 Torr of N2, or air, at 296 K. The reaction proceeds with a rate constant k(Cl + C6H5NO2) = (9.3 ± 1.9) × 10-13 cm3 molecule-1 s-1 to give C6H5Cl and NO2 products in essentially 100% yield. The observed product yields suggest that the reaction proceeds via a displacement mechanism (probably addition followed by elimination). The UV-visible absorption spectrum of C6H5NO2 was measured. Photolysis of C6H5NO2 is estimated to occur at a rate of (3 ± 2) × 10-5 s-1 for a solar zenith angle of 25° (representative of a typical summer day at 40°N) and is likely to be the dominant atmospheric loss mechanism for C6H5NO2.",

author = "L. Fr{\o}sig and Nielsen, {O. J.} and M. Bilde and Wallington, {T. J.} and Orlando, {J. J.} and Tyndall, {G. S.}",

year = "2000",

month = dec,

day = "7",

doi = "10.1021/jp002696o",

language = "English",

volume = "104",

pages = "11328--11331",

journal = "Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory",

issn = "1089-5639",

publisher = "American Chemical Society",

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TY - JOUR

T1 - Kinetics and mechanism of the reaction of Cl atoms with nitrobenzene

AU - Frøsig, L.

AU - Nielsen, O. J.

AU - Bilde, M.

AU - Wallington, T. J.

AU - Orlando, J. J.

AU - Tyndall, G. S.

PY - 2000/12/7

Y1 - 2000/12/7

N2 - Smog chamber/FTIR techniques were used to study the kinetics and mechanism of the reaction of Cl atoms with nitrobenzene (C6H5NO2) in 10-700 Torr of N2, or air, at 296 K. The reaction proceeds with a rate constant k(Cl + C6H5NO2) = (9.3 ± 1.9) × 10-13 cm3 molecule-1 s-1 to give C6H5Cl and NO2 products in essentially 100% yield. The observed product yields suggest that the reaction proceeds via a displacement mechanism (probably addition followed by elimination). The UV-visible absorption spectrum of C6H5NO2 was measured. Photolysis of C6H5NO2 is estimated to occur at a rate of (3 ± 2) × 10-5 s-1 for a solar zenith angle of 25° (representative of a typical summer day at 40°N) and is likely to be the dominant atmospheric loss mechanism for C6H5NO2.

AB - Smog chamber/FTIR techniques were used to study the kinetics and mechanism of the reaction of Cl atoms with nitrobenzene (C6H5NO2) in 10-700 Torr of N2, or air, at 296 K. The reaction proceeds with a rate constant k(Cl + C6H5NO2) = (9.3 ± 1.9) × 10-13 cm3 molecule-1 s-1 to give C6H5Cl and NO2 products in essentially 100% yield. The observed product yields suggest that the reaction proceeds via a displacement mechanism (probably addition followed by elimination). The UV-visible absorption spectrum of C6H5NO2 was measured. Photolysis of C6H5NO2 is estimated to occur at a rate of (3 ± 2) × 10-5 s-1 for a solar zenith angle of 25° (representative of a typical summer day at 40°N) and is likely to be the dominant atmospheric loss mechanism for C6H5NO2.

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U2 - 10.1021/jp002696o

DO - 10.1021/jp002696o

M3 - Journal article

AN - SCOPUS:0034514071

SN - 1089-5639

VL - 104

SP - 11328

EP - 11331

JO - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

JF - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

IS - 48

ER -

Kinetics and mechanism of the reaction of Cl atoms with nitrobenzene

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