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CH3C(O)OO


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   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Tx = 48300 gas Basco and Parmar, 1985
Moortgat, Veyret, et al., 1989
Roehl, Bauer, et al., 1996

State:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Tx = 40800 gas Addison, Burrows, et al., 1980
Basco and Parmar, 1985
Moortgat, Veyret, et al., 1989
Roehl, Bauer, et al., 1996

State:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Td Ar 300 400 Bruckmann and Willner, 1983

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 5582.5 ± 0.5 gas A-X 1348 1798 Hunziker and Wendt, 1976
Zalyubovsky, Glover, et al., 2003
Hu, Fu, et al., 2006


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

OO stretch 932 ± 5 gas AB Hunziker and Wendt, 1976
530 gas AB Hunziker and Wendt, 1976

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a' 3 C=O stretch 1851 vs gas IR Chen and Lee, 2010
3 C=O stretch 1850 Ne IR von Ahsen, Willner, et al., 2004
3 C=O stretch 1843 s Ar IR Bruckmann and Willner, 1983
von Ahsen, Willner, et al., 2004
4 CH3 a-deform. 1427 Ne IR von Ahsen, Willner, et al., 2004
4 CH3 a-deform. 1420 w Ar IR Bruckmann and Willner, 1983
von Ahsen, Willner, et al., 2004
5 CH3 s-deform. 1372 ± 2 gas IR Chen and Lee, 2010
5 CH3 s-deform. 1372 Ne IR von Ahsen, Willner, et al., 2004
5 CH3 s-deform. 1367 m Ar IR Bruckmann and Willner, 1983
von Ahsen, Willner, et al., 2004
6 Mixed 1169 ± 6 gas IR Chen and Lee, 2010
6 Mixed 1160 w Ne IR von Ahsen, Willner, et al., 2004
6 Mixed 1152 m Ar IR Bruckmann and Willner, 1983
von Ahsen, Willner, et al., 2004
7 Mixed 1102 ± 3 gas IR Chen and Lee, 2010
7 Mixed 1106 Ne IR von Ahsen, Willner, et al., 2004
7 Mixed 1099 m Ar IR Bruckmann and Willner, 1983
von Ahsen, Willner, et al., 2004
8 Mixed 977 Ne IR von Ahsen, Willner, et al., 2004
8 Mixed 972 m Ar IR Bruckmann and Willner, 1983
von Ahsen, Willner, et al., 2004
9 Mixed 743 Ne IR von Ahsen, Willner, et al., 2004
9 Mixed 736 m Ar IR Bruckmann and Willner, 1983
von Ahsen, Willner, et al., 2004
10 Mixed 549 Ne IR von Ahsen, Willner, et al., 2004
10 Mixed 545 w Ar IR von Ahsen, Willner, et al., 2004
11 Mixed 500 w Ar IR von Ahsen, Willner, et al., 2004
12 Mixed 348 T Ne IR von Ahsen, Willner, et al., 2004
12 Mixed 347 T Ar IR von Ahsen, Willner, et al., 2004
a 14 CH3 a-deform. 1432 Ne IR von Ahsen, Willner, et al., 2004
14 CH3 a-deform. 1425 w Ar IR Bruckmann and Willner, 1983
von Ahsen, Willner, et al., 2004
15 Mixed 1033 Ne IR von Ahsen, Willner, et al., 2004
15 Mixed 1029 w Ar IR Bruckmann and Willner, 1983
von Ahsen, Willner, et al., 2004

Additional references: Jacox, 1994, page 380; Jacox, 1998, page 339

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.
dPhotodissociation threshold

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.

Basco and Parmar, 1985
Basco, N.; Parmar, S.S., Spectra and reactions of acetyl and acetylperoxy radicals, Int. J. Chem. Kinet., 1985, 17, 8, 891, https://doi.org/10.1002/kin.550170809 . [all data]

Moortgat, Veyret, et al., 1989
Moortgat, G.; Veyret, B.; Lesclaux, R., Absorption spectrum and kinetics of reactions of the acetylperoxy radical, J. Phys. Chem., 1989, 93, 6, 2362, https://doi.org/10.1021/j100343a032 . [all data]

Roehl, Bauer, et al., 1996
Roehl, C.M.; Bauer, D.; Moortgat, G.K., Absorption Spectrum and Kinetics of the Acetylperoxy Radical, J. Phys. Chem., 1996, 100, 10, 4038, https://doi.org/10.1021/jp9526298 . [all data]

Addison, Burrows, et al., 1980
Addison, M.C.; Burrows, J.P.; Cox, R.A.; Patrick, R., Absorption spectrum and kinetics of the acetylperoxy radical, Chem. Phys. Lett., 1980, 73, 2, 283, https://doi.org/10.1016/0009-2614(80)80373-3 . [all data]

Bruckmann and Willner, 1983
Bruckmann, P.W.; Willner, H., Infrared spectroscopic study of peroxyacetyl nitrate (PAN) and its decomposition products, Environ. Sci. Technol., 1983, 17, 6, 352, https://doi.org/10.1021/es00112a009 . [all data]

Hunziker and Wendt, 1976
Hunziker, H.E.; Wendt, H.R., Electronic absorption spectra of organic peroxyl radicals in the near infrared, J. Chem. Phys., 1976, 64, 8, 3488, https://doi.org/10.1063/1.432606 . [all data]

Zalyubovsky, Glover, et al., 2003
Zalyubovsky, S.J.; Glover, B.G.; Miller, T.A., Cavity Ringdown Spectroscopy of the à - X Electronic Transition of the CH, J. Phys. Chem. A, 2003, 107, 39, 7704, https://doi.org/10.1021/jp0305279 . [all data]

Hu, Fu, et al., 2006
Hu, Y.J.; Fu, H.B.; Bernstein, E.R., Generation and Detection of the Peroxyacetyl Radical in the Pyrolysis of Peroxyacetyl Nitrate in a Supersonic Expansion, J. Phys. Chem. A, 2006, 110, 8, 2629, https://doi.org/10.1021/jp058196i . [all data]

Chen and Lee, 2010
Chen, S.-Y.; Lee, Y.-P., Transient infrared absorption of t-CH[sub 3]C(O)OO, c-CH[sub 3]C(O)OO, and «alpha»-lactone recorded in gaseous reactions of CH[sub 3]CO and O[sub 2], J. Chem. Phys., 2010, 132, 11, 114303, https://doi.org/10.1063/1.3352315 . [all data]

von Ahsen, Willner, et al., 2004
von Ahsen, S.; Willner, H.; Francisco, J.S., Thermal decomposition of peroxy acetyl nitrate CH[sub 3]C(O)OONO[sub 2], J. Chem. Phys., 2004, 121, 5, 2048, https://doi.org/10.1063/1.1767813 . [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]


Notes

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