1,2,4-Trioxolane


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:   X


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

a 1 CH stretch 2973 m Ar IR Kuhne and Gunthard, 1976
Hawkins, Kohlmiller, et al., 1982
2 CH stretch 2900 m Ar IR Kuhne and Gunthard, 1976
Hawkins, Kohlmiller, et al., 1982
4 CH2 bend 1387 m Ar IR Kuhne and Gunthard, 1976
Hawkins, Kohlmiller, et al., 1982
5 1202 m Ar IR Kuhne and Gunthard, 1976
Hawkins, Kohlmiller, et al., 1982
6 1143 w Ar IR Kuhne and Gunthard, 1976
7 C-Op stretch 1037.01 gas IR Sablinskas, Hegelund, et al., 2005
7 C-Op stretch 1029 s Ar IR Kuhne and Gunthard, 1976
Kohlmiller and Andrews, 1981
Hawkins, Kohlmiller, et al., 1982
7 C-Op stretch 1021 Xe IR Kohlmiller and Andrews, 1981
8 COC s-stretch 956.07 gas IR Niki, Maker, et al., 1981
Sablinskas, Hegelund, et al., 2005
8 COC s-stretch 952 vs Ar IR Kuhne and Gunthard, 1976
Kohlmiller and Andrews, 1981
Hawkins, Kohlmiller, et al., 1982
8 COC s-stretch 945 Xe IR Kohlmiller and Andrews, 1981
9 O-O stretch 810 w gas IR Niki, Maker, et al., 1981
9 O-O stretch 808 s Ar IR Kuhne and Gunthard, 1976
Kohlmiller and Andrews, 1981
Hawkins, Kohlmiller, et al., 1982
9 O-O stretch 802 Xe IR Kohlmiller and Andrews, 1981
10 Ring bend 737 w Ar IR Kuhne and Gunthard, 1976
Hawkins, Kohlmiller, et al., 1982
11 Ring pucker 352 w Ar IR Kuhne and Gunthard, 1976
b 12 CH stretch 2967 s Ar IR Kuhne and Gunthard, 1976
Hawkins, Kohlmiller, et al., 1982
13 CH stretch 2894 m Ar IR Kuhne and Gunthard, 1976
Hawkins, Kohlmiller, et al., 1982
14 1483 w Ar IR Kuhne and Gunthard, 1976
15 Mixed 1346 m Ar IR Kuhne and Gunthard, 1976
Hawkins, Kohlmiller, et al., 1982
16 1196 m Ar IR Kuhne and Gunthard, 1976
Hawkins, Kohlmiller, et al., 1982
17 Mixed 1129 s Ar IR Kuhne and Gunthard, 1976
Kohlmiller and Andrews, 1981
Hawkins, Kohlmiller, et al., 1982
17 Mixed 1130 Xe IR Kohlmiller and Andrews, 1981
18 COC a-stretch 1082.12 gas IR Niki, Maker, et al., 1981
Sablinskas, Hegelund, et al., 2005
18 COC a-stretch 1078 vs Ar IR Kuhne and Gunthard, 1976
Kohlmiller and Andrews, 1981
Hawkins, Kohlmiller, et al., 1982
18 COC a-stretch 1072 Xe IR Kohlmiller and Andrews, 1981
19 C-Op stretch 926 w Ar IR Kuhne and Gunthard, 1976
Hawkins, Kohlmiller, et al., 1982
20 Ring bend 698 m Ar IR Kuhne and Gunthard, 1976
Hawkins, Kohlmiller, et al., 1982
21 193 m Ar IR Kuhne and Gunthard, 1976

Additional references: Jacox, 1994, page 422; Jacox, 1998, page 367; Gillies and Kuczkowski, 1972; Kuczkowski, Gillies, et al., 1976; Mazur and Kuczkowski, 1977; Samuni and Haas, 1996

Notes

wWeak
mMedium
sStrong
vsVery strong

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.

Kuhne and Gunthard, 1976
Kuhne, H.; Gunthard, H.H., Spectroscopic study of the ozone-ethylene reaction. Matrix-infrared spectra of three isotopic ethylene ozonides, J. Phys. Chem., 1976, 80, 11, 1238, https://doi.org/10.1021/j100552a025 . [all data]

Hawkins, Kohlmiller, et al., 1982
Hawkins, M.; Kohlmiller, C.K.; Andrews, L., Matrix infrared spectra and photolysis and pyrolysis of isotopic secondary ozonides of ethylene, J. Phys. Chem., 1982, 86, 16, 3154, https://doi.org/10.1021/j100213a019 . [all data]

Sablinskas, Hegelund, et al., 2005
Sablinskas, V.; Hegelund, F.; Ceponkus, J.; Bariseviciute, R.; Aleksa, V.; Nelander, B., A High-Resolution FT-IR Study of the Fundamental Bands ν, J. Phys. Chem. A, 2005, 109, 39, 8719, https://doi.org/10.1021/jp051647e . [all data]

Kohlmiller and Andrews, 1981
Kohlmiller, C.K.; Andrews, L., Infrared spectrum of the primary ozonide of ethylene in solid xenon, J. Am. Chem. Soc., 1981, 103, 10, 2578, https://doi.org/10.1021/ja00400a016 . [all data]

Niki, Maker, et al., 1981
Niki, H.; Maker, P.D.; Savage, C.M.; Breitenbach, L.P., A FT IR study of a transitory product in the gas-phase ozone-ethylene reaction, J. Phys. Chem., 1981, 85, 8, 1024, https://doi.org/10.1021/j150608a020 . [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]

Gillies and Kuczkowski, 1972
Gillies, C.W.; Kuczkowski, R.L., J. Am. Chem. Soc., 1972, 94, 6337, 7609. [all data]

Kuczkowski, Gillies, et al., 1976
Kuczkowski, R.L.; Gillies, C.W.; Gallaher, K.L., Microwave spectrum and structure of ethylene ozonide: Effects of large axes rotations in structure calculations, J. Mol. Spectrosc., 1976, 60, 1-3, 361, https://doi.org/10.1016/0022-2852(76)90139-9 . [all data]

Mazur and Kuczkowski, 1977
Mazur, U.; Kuczkowski, R.L., Microwave spectrum and structure of ethylene ozonide-D4, J. Mol. Spectrosc., 1977, 65, 1, 84, https://doi.org/10.1016/0022-2852(77)90360-5 . [all data]

Samuni and Haas, 1996
Samuni, U.; Haas, Y., An ab-initio study of the normal modes of the primary and secondary ozonides of ethylene, Spectrochim. Acta A, 1996, 52, 11, 1479, https://doi.org/10.1016/0584-8539(96)01706-0 . [all data]


Notes

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