CF3CH(ONO)CF3: Synthesis, IR spectrum, and use as OH radical source for kinetic and mechanistic studies

Research output: Contribution to journal › Journal article › peer-review

Standard

CF3CH(ONO)CF3: Synthesis, IR spectrum, and use as OH radical source for kinetic and mechanistic studies. / Andersen, Mads Peter Sulbæk; Hurley, MD; Ball, JC; Schneider, WF; Wallington, TJ; Nielsen, OJ.

In: International Journal of Chemical Kinetics, Vol. 35, No. 4, 01.04.2003, p. 159-165.

Research output: Contribution to journal › Journal article › peer-review

Harvard

Andersen, MPS, Hurley, MD, Ball, JC, Schneider, WF, Wallington, TJ & Nielsen, OJ 2003, 'CF3CH(ONO)CF3: Synthesis, IR spectrum, and use as OH radical source for kinetic and mechanistic studies', International Journal of Chemical Kinetics, vol. 35, no. 4, pp. 159-165. https://doi.org/10.1002/kin.10116

APA

Andersen, M. P. S., Hurley, MD., Ball, JC., Schneider, WF., Wallington, TJ., & Nielsen, OJ. (2003). CF3CH(ONO)CF3: Synthesis, IR spectrum, and use as OH radical source for kinetic and mechanistic studies. International Journal of Chemical Kinetics, 35(4), 159-165. https://doi.org/10.1002/kin.10116

Vancouver

Andersen MPS, Hurley MD, Ball JC, Schneider WF, Wallington TJ, Nielsen OJ. CF3CH(ONO)CF3: Synthesis, IR spectrum, and use as OH radical source for kinetic and mechanistic studies. International Journal of Chemical Kinetics. 2003 Apr 1;35(4):159-165. https://doi.org/10.1002/kin.10116

Author

Andersen, Mads Peter Sulbæk ; Hurley, MD ; Ball, JC ; Schneider, WF ; Wallington, TJ ; Nielsen, OJ. / CF3CH(ONO)CF3: Synthesis, IR spectrum, and use as OH radical source for kinetic and mechanistic studies. In: International Journal of Chemical Kinetics. 2003 ; Vol. 35, No. 4. pp. 159-165.

Bibtex

@article{e827bca581dd4a8da10c957ef7db9294,
title = "CF3CH(ONO)CF3: Synthesis, IR spectrum, and use as OH radical source for kinetic and mechanistic studies",
abstract = "The synthesis, IR spectrum, and first-principles characterization of CF3CH(ONO)CF3 as well as its use as an OH radical source in kinetic and mechanistic studies are reported. CF3CH(ONO)CF3 exists in two conformers corresponding to rotation about the RCO-NO bond. The more prevalent trans conformer accounts for the prominent IR absorption features at frequencies (cm(-1)) of 1766 (N=O stretch), 1302, 12 10, and 1119 (C-F stretches), and 761 (O-N-O bend); the cis conformer contributes a number of distinct weaker features. CF3CH(ONO)CF3 was readily photolyzed using fluorescent blacklamps to generate CF3C(O)CF3 and, by implication, OH radicals in 100% yield. CF3CH(ONO)CF3 photolysis is a convenient source of OH radicals in the studies of the yields of CO, CO2, HCHO, and HC(O)OH products which can be difficult to measure using more conventional OH radical sources (e.g., CH3ONO photolysis). CF3CH(ONO)CF3 photolysis was used to measure k(OH + C2H4)/k(OH + C3H6) = 0.29 +/- 0.01 and to establish upper limits of 16 and 6% for the molar yields of CO and HC(O)OH from the reaction of OH radicals with benzene in 700 Torr of air at 296 K. (C) 2003 Wiley Periodicals, Inc.",
author = "Andersen, {Mads Peter Sulb{\ae}k} and MD Hurley and JC Ball and WF Schneider and TJ Wallington and OJ Nielsen",
year = "2003",
month = apr,
day = "1",
doi = "10.1002/kin.10116",
language = "Udefineret/Ukendt",
volume = "35",
pages = "159--165",
journal = "International Journal of Chemical Kinetics",
issn = "0538-8066",
publisher = "JohnWiley & Sons, Inc.",
number = "4",

}

RIS

TY - JOUR

T1 - CF3CH(ONO)CF3: Synthesis, IR spectrum, and use as OH radical source for kinetic and mechanistic studies

AU - Andersen, Mads Peter Sulbæk

AU - Hurley, MD

AU - Ball, JC

AU - Schneider, WF

AU - Wallington, TJ

AU - Nielsen, OJ

PY - 2003/4/1

Y1 - 2003/4/1

N2 - The synthesis, IR spectrum, and first-principles characterization of CF3CH(ONO)CF3 as well as its use as an OH radical source in kinetic and mechanistic studies are reported. CF3CH(ONO)CF3 exists in two conformers corresponding to rotation about the RCO-NO bond. The more prevalent trans conformer accounts for the prominent IR absorption features at frequencies (cm(-1)) of 1766 (N=O stretch), 1302, 12 10, and 1119 (C-F stretches), and 761 (O-N-O bend); the cis conformer contributes a number of distinct weaker features. CF3CH(ONO)CF3 was readily photolyzed using fluorescent blacklamps to generate CF3C(O)CF3 and, by implication, OH radicals in 100% yield. CF3CH(ONO)CF3 photolysis is a convenient source of OH radicals in the studies of the yields of CO, CO2, HCHO, and HC(O)OH products which can be difficult to measure using more conventional OH radical sources (e.g., CH3ONO photolysis). CF3CH(ONO)CF3 photolysis was used to measure k(OH + C2H4)/k(OH + C3H6) = 0.29 +/- 0.01 and to establish upper limits of 16 and 6% for the molar yields of CO and HC(O)OH from the reaction of OH radicals with benzene in 700 Torr of air at 296 K. (C) 2003 Wiley Periodicals, Inc.

AB - The synthesis, IR spectrum, and first-principles characterization of CF3CH(ONO)CF3 as well as its use as an OH radical source in kinetic and mechanistic studies are reported. CF3CH(ONO)CF3 exists in two conformers corresponding to rotation about the RCO-NO bond. The more prevalent trans conformer accounts for the prominent IR absorption features at frequencies (cm(-1)) of 1766 (N=O stretch), 1302, 12 10, and 1119 (C-F stretches), and 761 (O-N-O bend); the cis conformer contributes a number of distinct weaker features. CF3CH(ONO)CF3 was readily photolyzed using fluorescent blacklamps to generate CF3C(O)CF3 and, by implication, OH radicals in 100% yield. CF3CH(ONO)CF3 photolysis is a convenient source of OH radicals in the studies of the yields of CO, CO2, HCHO, and HC(O)OH products which can be difficult to measure using more conventional OH radical sources (e.g., CH3ONO photolysis). CF3CH(ONO)CF3 photolysis was used to measure k(OH + C2H4)/k(OH + C3H6) = 0.29 +/- 0.01 and to establish upper limits of 16 and 6% for the molar yields of CO and HC(O)OH from the reaction of OH radicals with benzene in 700 Torr of air at 296 K. (C) 2003 Wiley Periodicals, Inc.

U2 - 10.1002/kin.10116

DO - 10.1002/kin.10116

M3 - Tidsskriftartikel

VL - 35

SP - 159

EP - 165

JO - International Journal of Chemical Kinetics

JF - International Journal of Chemical Kinetics

SN - 0538-8066

IS - 4

ER -

ID: 44568469