CF3O

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:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 34000 U Ne Arguello and Willner, 2001
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 495 ± 10 Ne AB Arguello and Willner, 2001

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 28531.26 ± 0.02 gas A-X 330 400 Li and Francisco, 1991
Saathoff and Zellner, 1993
Tan, Yang, et al., 1994
Yang, Williamson, et al., 1997
To = 28517 ± 3 Ne A-X 310 351 Arguello and Willner, 2001
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 2 819 ± 5 Ne AB Arguello and Willner, 2001
3 635.0 gas LF Tan, Yang, et al., 1994
Yang, Williamson, et al., 1997
3 632 ± 5 Ne AB Arguello and Willner, 2001
e 4 CF3 a-stretch 1254 ± 5 Ne AB Arguello and Willner, 2001
5 CF3 deform. 626.1 gas LF Yang, Williamson, et al., 1997
5 CF3 deform. 632 ± 5 Ne AB Arguello and Willner, 2001
6 FCO deform. 426.3 gas LF Li and Francisco, 1991
Saathoff and Zellner, 1993
Tan, Yang, et al., 1994
Yang, Williamson, et al., 1997
6 FCO deform. 434 ± 5 Ne AB Arguello and Willner, 2001

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1 CO stretch 1215 w gas LF Li and Francisco, 1991
Saathoff and Zellner, 1993
Backholtz, Yang, et al., 1999
1 CO stretch 1273 m s Ne IR Arguello and Willner, 2001
1 CO stretch 1260 m s Ar IR Arguello and Willner, 2001
2 CF3 s-stretch 977 w gas LF Li and Francisco, 1991
Saathoff and Zellner, 1993
Backholtz, Yang, et al., 1999
2 CF3 s-stretch 891 w Ne IR Arguello and Willner, 2001
2 CF3 s-stretch 894 w Ar IR Arguello and Willner, 2001
3 CF3 umbrella 527 w gas LF Backholtz, Yang, et al., 1999
3 CF3 umbrella 621 w Ne IR Arguello and Willner, 2001
3 CF3 umbrella 622 w Ar IR Arguello and Willner, 2001
e 4 CF3 stretch 1215 s a ) Ne IR 2001ARG/WIL3466
4 CF3 stretch 1207 vs a Ne IR Arguello and Willner, 2001
4 CF3 stretch 1207 s a ) Ar IR 2001ARG/WIL3466
4 CF3 stretch 1199 vs a Ar IR Arguello and Willner, 2001
5 CF3 deform. 600 w gas LF Backholtz, Yang, et al., 1999
5 CF3 deform. 666 w a Ne IR Arguello and Willner, 2001
5 CF3 deform. 663 w a Ar IR Arguello and Willner, 2001
6 FCO deform. 465 w gas LF Li and Francisco, 1991
Saathoff and Zellner, 1993
Backholtz, Yang, et al., 1999

Additional references: Jacox, 1994, page 289; Jacox, 1998, page 303; Jacox, 2003, page 302; Andrews, Hawkins, et al., 1985; Clemitshaw and Sodeau, 1989

Notes

wWeak
mMedium
sStrong
vsVery strong
UUpper bound
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
aSeparation of band origin for an excited state of H3 or D3 from the lowest bound state, 2s 2A1'.

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.

Arguello and Willner, 2001
Arguello, G.A.; Willner, H., IR and UV Absorption Spectrum of the Trifluoromethoxy Radical, CF, J. Phys. Chem. A, 2001, 105, 14, 3466, https://doi.org/10.1021/jp002960d . [all data]

Li and Francisco, 1991
Li, Z.; Francisco, J.S., Laser-induced fluorescence spectroscopic study of the Ã2A1«58872»X 2E transition of trifluoromethoxy radical, Chem. Phys. Lett., 1991, 186, 4-5, 336, https://doi.org/10.1016/0009-2614(91)90188-F . [all data]

Saathoff and Zellner, 1993
Saathoff, H.; Zellner, R., LIF detection of the CF3O radical and kinetics of its reactions with CH4 and C2H6, Chem. Phys. Lett., 1993, 206, 1-4, 349, https://doi.org/10.1016/0009-2614(93)85563-4 . [all data]

Tan, Yang, et al., 1994
Tan, X.-Q.; Yang, M.-C.; Carter, C.C.; Williamson, J.M.; Miller, T.A.; Mlsna, T.E.; Anderson, J.D.O.; Desmarteau, D.D., Electronic Spectroscopy of CF3O in a Supersonic Jet: Symmetry and Rotational Structure of a Prototypical Perfluoroalkoxy Radical, J. Phys. Chem., 1994, 98, 11, 2732, https://doi.org/10.1021/j100062a005 . [all data]

Yang, Williamson, et al., 1997
Yang, M.-C.; Williamson, J.M.; Miller, T.A., Rotational Analyses of the Laser Induced Fluorescence Excitation Spectra of Jet-Cooled CF3O and CF3S, J. Mol. Spectrosc., 1997, 186, 1, 1, https://doi.org/10.1006/jmsp.1997.7429 . [all data]

Backholtz, Yang, et al., 1999
Backholtz, T.A.; Yang, M.-C.; Miller, T.A., Jahn---Teller coupling in the [Xtilde], Mol. Phys., 1999, 97, 1-2, 239, https://doi.org/10.1080/00268979909482826 . [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, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [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]

Andrews, Hawkins, et al., 1985
Andrews, L.; Hawkins, M.; Withnall, R., Photochemistry of an ozone complex with trifluoroiodomethane in solid argon. Infrared spectra of CF3IO, CF3OI, and two CF2O--IF complexes, Inorg. Chem., 1985, 24, 25, 4234, https://doi.org/10.1021/ic00219a005 . [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]

Notes

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