CF3O2

Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   ?
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 47620 gas Maricq and Szente, 1992
Nielsen, Ellermann, et al., 1992

State:   ?
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 48430 Ne Sander, Pernice, et al., 2000

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 6656 ± 3 gas Zalyubovsky, Wang, et al., 2001
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a' 2 CO stretch 1192 ± 5 T gas CR Zalyubovsky, Wang, et al., 2001
3 OO stretch 980 ± 5 gas CR Zalyubovsky, Wang, et al., 2001

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a' 1 CF3 a-stretch 1309.0 vs Ne IR Sander, Pernice, et al., 2000
1 CF3 a-stretch 1303.9 vs Ar IR Butler and Snelson, 1979
Clemitshaw and Sodeau, 1987
Clemitshaw and Sodeau, 1989
Sander, Pernice, et al., 2000
2 CF3 s-stretch 1178.3 m s Ne IR Sander, Pernice, et al., 2000
2 CF3 s-stretch 1172.5 s Ar IR Smardzewski, DeMarco, et al., 1975
Butler and Snelson, 1979
Clemitshaw and Sodeau, 1987
Clemitshaw and Sodeau, 1989
Sander, Pernice, et al., 2000
3 O-O stretch 1099.6 m Ne IR Sander, Pernice, et al., 2000
3 O-O stretch 1093.0 m Ar IR Smardzewski, DeMarco, et al., 1975
Butler and Snelson, 1979
Clemitshaw and Sodeau, 1987
Clemitshaw and Sodeau, 1989
Sander, Pernice, et al., 2000
4 CO stretch 872.7 w Ne IR Sander, Pernice, et al., 2000
4 CO stretch 869.2 w Ar IR Butler and Snelson, 1979
Sander, Pernice, et al., 2000
5 CF3 s-deform. 694.8 w Ne IR Sander, Pernice, et al., 2000
5 CF3 s-deform. 693.2 m Ar IR Butler and Snelson, 1979
Clemitshaw and Sodeau, 1987
Clemitshaw and Sodeau, 1989
Sander, Pernice, et al., 2000
6 CF3 a-deform. 495.0 w Ne IR Sander, Pernice, et al., 2000
6 CF3 a-deform. 491.2 Ar IR Sander, Pernice, et al., 2000
7 COO deform. 449.6 w Ne IR Sander, Pernice, et al., 2000
7 COO deform. 447.6 w Ar IR Butler and Snelson, 1979
Sander, Pernice, et al., 2000
8 CF3 rock 289.6 w Ne IR Sander, Pernice, et al., 2000
8 CF3 rock 286.8 w Ar IR Butler and Snelson, 1979
Sander, Pernice, et al., 2000
a 9 CF3 a-stretch 1266.1 s Ne IR Sander, Pernice, et al., 2000
9 CF3 a-stretch 1261.8 vs Ar IR Butler and Snelson, 1979
Clemitshaw and Sodeau, 1987
Clemitshaw and Sodeau, 1989
Sander, Pernice, et al., 2000
10 CF3 a-deform. 596.9 w Ne IR Sander, Pernice, et al., 2000
10 CF3 a-deform. 595.2 w Ar IR Butler and Snelson, 1979
Clemitshaw and Sodeau, 1989
Sander, Pernice, et al., 2000
11 CF3 rock 402.7 w Ne IR Sander, Pernice, et al., 2000
11 CF3 rock 401.2 Ar IR Sander, Pernice, et al., 2000

Additional references: Jacox, 1994, page 354; Jacox, 2003, page 332

Notes

wWeak
mMedium
sStrong
vsVery strong
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Maricq and Szente, 1992
Maricq, M.M.; Szente, J.J., Flash photolysis-time-resolved UV absorption study of the reactions trifluoromethane + fluorine atom .fwdarw. trifluoromethyl + hydrogen fluoride and trifluoromethylperoxy + trifluoromethylperoxy .fwdarw. products, J. Phys. Chem., 1992, 96, 12, 4925, https://doi.org/10.1021/j100191a037 . [all data]

Nielsen, Ellermann, et al., 1992
Nielsen, O.J.; Ellermann, T.; Sehested, J.; Bartkiewicz, E.; Wallington, T.J.; Hurley, M.D., UV absorption spectra, kinetics, and mechanisms of the self reaction of CF3O2 radicals in the gas phase at 295 K, Int. J. Chem. Kinet., 1992, 24, 11, 1009, https://doi.org/10.1002/kin.550241111 . [all data]

Sander, Pernice, et al., 2000
Sander, S.; Pernice, H.; Willner, H., IR and UV Spectra of the Matrix-Isolated Peroxy Radicals CF3OO, trans-FC(O)OO, and cis-FC(O)OO, Chem. Eur. J., 2000, 6, 19, 3645, https://doi.org/10.1002/1521-3765(20001002)6:19<3645::AID-CHEM3645>3.0.CO;2-# . [all data]

Zalyubovsky, Wang, et al., 2001
Zalyubovsky, S.J.; Wang, D.; Miller, T.A., Observation of the electronic transition of the CF3O2 radical, Chem. Phys. Lett., 2001, 335, 3-4, 298, https://doi.org/10.1016/S0009-2614(01)00058-6 . [all data]

Butler and Snelson, 1979
Butler, R.; Snelson, A., Infrared matrix isolation spectra of some perfluoro organic free radicals. 2. CF3O2, J. Phys. Chem., 1979, 83, 25, 3243, https://doi.org/10.1021/j100488a012 . [all data]

Clemitshaw and Sodeau, 1987
Clemitshaw, K.C.; Sodeau, J.R., Atmospheric chemistry at 4.2 K: a matrix isolation study of the reaction between peroxytrifluoromethane radicals and nitric oxide, J. Phys. Chem., 1987, 91, 13, 3650, https://doi.org/10.1021/j100297a037 . [all data]

Clemitshaw and Sodeau, 1989
Clemitshaw, K.C.; Sodeau, J.R., Photooxidation of trifluoroiodomethane in low-temperature matrixes, J. Phys. Chem., 1989, 93, 9, 3552, https://doi.org/10.1021/j100346a038 . [all data]

Smardzewski, DeMarco, et al., 1975
Smardzewski, R.R.; DeMarco, R.A.; Fox, W.B., Argon matrix infrared spectra of CF3OOF and CF3OOOCF3 and their photolysis products. Spectroscopic evidence for the CF3OO radical, J. Chem. Phys., 1975, 63, 3, 1083, https://doi.org/10.1063/1.431450 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Notes

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