Chlorine trioxide

Gas phase ion energetics data

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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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess

View reactions leading to ClO3+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
4.25 ± 0.10LPESWang and Wang, 2000Vertical Detachment Energy: 4.65±0.10 eV.; B
>3.19997EIAEAlekseev, Fedorova, et al., 1983From ClO3F; B

Ionization energy determinations

IE (eV) Method Reference Comment
11.4 ± 0.10EIAlekseev, Zyubina, et al., 1989LL

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 = 21380 ± 800 gas Wang and Wang, 2000, 2
To = 20000 T Ne B-X 240 440 Grothe and Willner, 1994
Kopitzky, Grothe, et al., 2002

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 9680 ± 800 gas Wang and Wang, 2000, 2

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1 ClO stretch 905.04 w Ne IR Grothe and Willner, 1994
Kopitzky, Grothe, et al., 2002
1 ClO stretch 899.5 Ar IR Kopitzky, Grothe, et al., 2002
1 ClO stretch 900.4 O2 IR Kopitzky, Grothe, et al., 2002
2 Deform. 566.63 w m Ne IR Grothe and Willner, 1994
Kopitzky, Grothe, et al., 2002
2 Deform. 562.7 Ar IR Kopitzky, Grothe, et al., 2002
2 Deform. 563.0 O2 IR Kopitzky, Grothe, et al., 2002
e 3 ClO stretch 1081.27 vs Ne IR Grothe and Willner, 1994
Kopitzky, Grothe, et al., 2002
3 ClO stretch 1072.2 Ar IR Kopitzky, Grothe, et al., 2002
3 ClO stretch 1074.0 O2 IR Kopitzky, Grothe, et al., 2002
4 Deform. 475.76 m Ne IR Grothe and Willner, 1994
Kopitzky, Grothe, et al., 2002
4 Deform. 473.3 Ar IR Kopitzky, Grothe, et al., 2002
4 Deform. 474.1 O2 IR Kopitzky, Grothe, et al., 2002

Additional references: Jacox, 1998, page 262

Notes

wWeak
mMedium
vsVery strong
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

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.

Wang and Wang, 2000
Wang, X.B.; Wang, L.S., The electronic structure and electron affinities of higher chlorine oxide radicals ClOx (x=2-4) from photoelectron spectroscopy of ClOx- anions, J. Chem. Phys., 2000, 113, 24, 10928-10933, https://doi.org/10.1063/1.1326067 . [all data]

Alekseev, Fedorova, et al., 1983
Alekseev, V.I.; Fedorova, L.I.; Baluev, A.V., Mass Spectrometric Study of Thermochemical Characteristics of Perchloryl Fluoride and its Decomposition Product Chlorosyl Fluoride, Izv. Akad. Nauk SSR Ser. Khim. 1084, 1983. [all data]

Alekseev, Zyubina, et al., 1989
Alekseev, V.I.; Zyubina, T.S.; Zyubin, A.S.; Baluev, A.V., Mass-spectrometric and quantum-chemical investigation of thermochemical characteristics of chlorine oxides, J. Am. Chem. Soc., 1989, 2092. [all data]

Wang and Wang, 2000, 2
Wang, W.-B.; Wang, L.-S., The electronic structure and electron affinities of higher chlorine oxide radicals ClO[sub x] (x=2--4) from photoelectron spectroscopy of ClO[sub x][sup -] anions, J. Chem. Phys., 2000, 113, 24, 10928, https://doi.org/10.1063/1.1326067 . [all data]

Grothe and Willner, 1994
Grothe, H.; Willner, H., Chlortrioxid: spektroskopische Eigenschaften, Molekülstruktur und photochemisches Verhalten, Angew. Chem., 1994, 106, 14, 1581, https://doi.org/10.1002/ange.19941061433 . [all data]

Kopitzky, Grothe, et al., 2002
Kopitzky, R.; Grothe, H.; Willner, H., Chlorine Oxide Radicals ClOx (x=1-4) Studied by Matrix Isolation Spectroscopy, Chem. Eur. J., 2002, 8, 24, 5601, https://doi.org/10.1002/1521-3765(20021216)8:24<5601::AID-CHEM5601>3.0.CO;2-Z . [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

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