C2H5OO

Formula: C₂H₅O₂
Molecular weight: 61.0599
CAS Registry Number: 3170-61-4
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Data at other public NIST sites:
- Gas Phase Kinetics Database
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Vibrational and/or electronic energy levels

State: ?

Energy (cm^-1)	Med.	λ_min (nm)	λ_max (nm)	References


T_x = 41700	gas	200	290	Parkes, Paul, et al., 1973
				Adachi, Basco, et al., 1979
				Anastasi, Waddington, et al., 1983
				Munk, Pagsberg, et al., 1986
				Maricq and Wallington, 1992
				Bauer, Crowley, et al., 1992
				Fenter, Catoire, et al., 1993

State: A

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 7593 ± 6	gas	A-X	1175	1317	Hunziker and Wendt, 1976
					Blanksby, Ramond, et al., 2001

Approximate type of mode	cm^-1	Med.	Method	References


OO stretch	918 ± 9	gas	AB PE	Hunziker and Wendt, 1976 Blanksby, Ramond, et al., 2001
Skel. bend	178 ± 10	gas	PE	Blanksby, Ramond, et al., 2001

State: X

Approximate type of mode	cm^-1		Med.	Method	References


CH₂ a-stretch	2999	s	gas	IR	Mah, Cabrera, et al., 2003
CH₂ a-stretch	3016	w m	Ar	IR	Chettur and Snelson, 1987
CH₃ stretch	2988	m	gas	IR	Mah, Cabrera, et al., 2003
CH₃ s-stretch	2964	s	gas	IR	Mah, Cabrera, et al., 2003
CH₂ scissors	1474	m	Ar	IR	Chettur and Snelson, 1987
CH₃ deform.	1448	m	gas	IR	Mah, Cabrera, et al., 2003
CH₃ deform.	1451	s	Ar	IR	Chettur and Snelson, 1987
CH₃ deform.	1397	s	gas	IR	Mah, Cabrera, et al., 2003
CH₃ deform.	1389	vs	Ar	IR	Chettur and Snelson, 1987
CH₃ deform.	1380	s	Ar	IR	Chettur and Snelson, 1987
CH₂ wag	1351	m	Ar	IR	Chettur and Snelson, 1987
	1283	m	gas	IR	Mah, Cabrera, et al., 2003
CH₂ twist	1242	w	Ar	IR	Chettur and Snelson, 1987
	1173	w	gas	IR	Mah, Cabrera, et al., 2003
CH₃ rock	1110	m	gas	Ir	Mah, Cabrera, et al., 2003
CH₃ rock	1136	m b	Ar	IR	Chettur and Snelson, 1987
OO stretch	1070		gas	PE IR	Blanksby, Ramond, et al., 2001 Mah, Cabrera, et al., 2003
OO stretch	1062	vs	gas	PE IR	Blanksby, Ramond, et al., 2001 Mah, Cabrera, et al., 2003
OO stretch	1050		gas	PE IR	Blanksby, Ramond, et al., 2001 Mah, Cabrera, et al., 2003
OO stretch	1112	m s	Ar	IR	Chettur and Snelson, 1987
CC stretch	1009	s	Ar	IR	Chettur and Snelson, 1987
	880	s	gas	IR	Mah, Cabrera, et al., 2003
CO stretch	838	m	Ar	IR	Chettur and Snelson, 1987
CH₂ rock	800	m	Ar	IR	Chettur and Snelson, 1987
Skel. bend	499	vs	Ar	IR	Chettur and Snelson, 1987
Skel. bend	234 ± 9		gas	PE	Blanksby, Ramond, et al., 2001

Additional references: Jacox, 1994, page 420; Jacox, 2003, page 393

Notes

Weak

Medium

Strong

Very strong

Energy separation between the v = 0 levels of the excited and electronic ground states.

Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

Broad

References

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

Parkes, Paul, et al., 1973
Parkes, D.A.; Paul, D.M.; Quinn, C.P.; Robson, R.C., The ultraviolet absorption by alkylperoxy radicals and their mutual reactions, Chem. Phys. Lett., 1973, 23, 3, 425, https://doi.org/10.1016/0009-2614(73)85115-2 . [all data]

Adachi, Basco, et al., 1979
Adachi, H.; Basco, N.; James, D.G.L., The ethylperoxy radical spectrum and rate constant for mutual interaction measured by flash photolysis and kinetic spectroscopy, Int. J. Chem. Kinet., 1979, 11, 11, 1211, https://doi.org/10.1002/kin.550111107 . [all data]

Anastasi, Waddington, et al., 1983
Anastasi, C.; Waddington, D.J.; Woolley, A., J. Chem. Soc., 1983, Faraday Trans. 1 79, 505. [all data]

Munk, Pagsberg, et al., 1986
Munk, J.; Pagsberg, P.; Ratajczak, E.; Sillesen, A., Spectrokinetic studies of ethyl and ethylperoxy radicals, J. Phys. Chem., 1986, 90, 12, 2752, https://doi.org/10.1021/j100403a038 . [all data]

Maricq and Wallington, 1992
Maricq, M.M.; Wallington, T.J., Absolute UV cross sections of methyl and ethyl peroxy radicals, J. Phys. Chem., 1992, 96, 2, 986, https://doi.org/10.1021/j100181a081 . [all data]

Bauer, Crowley, et al., 1992
Bauer, D.; Crowley, J.N.; Moortgat, G.K., The UV absorption spectrum of the ethylperoxy radical and its self-reaction kinetics between 218 and 333 K, J. Photochem. Photobiol. A: Chem., 1992, 65, 3, 329, https://doi.org/10.1016/1010-6030(92)80015-N . [all data]

Fenter, Catoire, et al., 1993
Fenter, F.F.; Catoire, V.; Lesclaux, R.; Lightfoot, P.D., The ethylperoxy radical: its ultraviolet spectrum, self-reaction, and reaction with hydroperoxy, each studied as a function of temperature, J. Phys. Chem., 1993, 97, 14, 3530, https://doi.org/10.1021/j100116a016 . [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]

Blanksby, Ramond, et al., 2001
Blanksby, S.J.; Ramond, T.M.; Davico, G.E.; Nimlos, M.R.; Kato, S.; Bierbaum, V.M.; Lineberger, W.C.; Ellison, G.B.; Okumura, M., Negative-Ion Photoelectron Spectroscopy, Gas-Phase Acidity, and Thermochemistry of the Peroxyl Radicals CH, J. Am. Chem. Soc., 2001, 123, 39, 9585, https://doi.org/10.1021/ja010942j . [all data]

Mah, Cabrera, et al., 2003
Mah, A.; Cabrera, J.; Nation, H.; Ramos, M.; Sharma, S.; Nickolaisen, S.L., Mid-Infrared Spectrum of the Gas-Phase Ethyl Peroxy Radical: C, J. Phys. Chem. A, 2003, 107, 22, 4354, https://doi.org/10.1021/jp026167r . [all data]

Chettur and Snelson, 1987
Chettur, G.; Snelson, A., Alkylperoxy and alkyl radicals. 4. Matrix IR spectra and UV photolysis of ethylperoxy and ethyl radicals, J. Phys. Chem., 1987, 91, 13, 3483, https://doi.org/10.1021/j100297a006 . [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

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

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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