Chlorine trioxide

Formula: ClO₃
Molecular weight: 83.451
CAS Registry Number: 13932-10-0
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Other data available:
- Gas phase ion energetics data
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Vibrational and/or electronic energy levels

State: B

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


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

State: A

Energy (cm^-1)	Med.	References


T_o = 9680 ± 800	gas	Wang and Wang, 2000

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

Weak

Medium

Very strong

Tentative assignment or approximate value

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

References

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Wang and Wang, 2000
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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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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