(CH3)3CO2

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 = 41700 gas 210 300 Anastasi, Smith, et al., 1978

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 7800 ± 90 gas Clifford, Wenthold, et al., 1998
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a' OO stretch 930 ± 90 gas PE Clifford, Wenthold, et al., 1998
240 ± 90 gas PE Clifford, Wenthold, et al., 1998

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
CH3 rock 1187 ± 2 vs Ar IR Chettur and Snelson, 1987
CH3 rock 1139 ± 2 m Ar IR Chettur and Snelson, 1987
OO stretch 1130 ± 90 gas PE Clifford, Wenthold, et al., 1998
OO stretch 1124 ± 2 s Ar IR Chettur and Snelson, 1987
CC stretch 808 ± 2 m s Ar IR Chettur and Snelson, 1987
760 ± 2 gas IR Parkes and Donovan, 1975
CO stretch 730 ± 2 m Ar IR Chettur and Snelson, 1987
693.7 ± 0.5 gas IR Parkes and Donovan, 1975
Skel. bend 539 ± 2 m s Ar IR Chettur and Snelson, 1987
Skel. bend 403 ± 2 w m Ar IR Chettur and Snelson, 1987
Skel. bend 361 ± 2 m Ar IR Chettur and Snelson, 1987
Skel. bend 337 ± 2 m Ar IR Chettur and Snelson, 1987
245 ± 90 gas PE Clifford, Wenthold, et al., 1998

Additional references: Jacox, 1994, page 421; Jacox, 2003, page 394

Notes

wWeak
mMedium
sStrong
vsVery strong
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

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

Anastasi, Smith, et al., 1978
Anastasi, C.; Smith, I.W.M.; Parkes, D.A., J. Chem. Soc., 1978, Faraday Trans. 1 74, 1693. [all data]

Clifford, Wenthold, et al., 1998
Clifford, E.P.; Wenthold, P.G.; Gareyev, R.; Lineberger, W.C.; DePuy, C.H.; Bierbaum, V.M.; Ellison, G.B., Photoelectron spectroscopy, gas phase acidity, and thermochemistry of tert-butyl hydroperoxide: Mechanisms for the rearrangement of peroxyl radicals, J. Chem. Phys., 1998, 109, 23, 10293, https://doi.org/10.1063/1.477725 . [all data]

Chettur and Snelson, 1987
Chettur, G.; Snelson, A., Alkylperoxy and alkyl radicals. 5. IR spectra and UV photolysis of tert-butylperoxy radicals in argon plus oxygen matrixes, J. Phys. Chem., 1987, 91, 23, 5873, https://doi.org/10.1021/j100307a012 . [all data]

Parkes and Donovan, 1975
Parkes, D.A.; Donovan, R.J., Infrared absorption spectrum of t-butylperoxy radicals in the gas phase, Chem. Phys. Lett., 1975, 36, 2, 211, https://doi.org/10.1016/0009-2614(75)87017-5 . [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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