OClO3

Formula: ClO₄
Molecular weight: 99.451
IUPAC Standard InChI: InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
IUPAC Standard InChIKey: VLTRZXGMWDSKGL-UHFFFAOYSA-M
CAS Registry Number: 14797-73-0
Chemical structure:
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Vibrational and/or electronic energy levels

State: A

Energy (cm^-1)	Med.	References


T_o = 19847	Ne	Kopitzky, Grothe, et al., 2002

cm^-1	Med.	Method	References


300	Ne	AB	Kopitzky, Grothe, et al., 2002

State: X'

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


a'	1	ClO₂ s-stretch	1292.5	T	Ne	IR	Kopitzky, Grothe, et al., 2002
	1	ClO₂ s-stretch	1252	T	Ar	IR	Kopitzky, Grothe, et al., 2002

State: X

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


a₁	1	ClO₂ s-stretch	1160.8	vs	Ne	IR	Grothe and Willner, 1996 Kopitzky, Grothe, et al., 2002
	1	ClO₂ s-stretch	1154		Ar	IR	Kopitzky, Grothe, et al., 2002
	2	ClO₂ s-stretch	873.0	w	Ne	IR	Grothe and Willner, 1996 Kopitzky, Grothe, et al., 2002
	2	ClO₂ s-stretch	872	T	Ar	IR	Kopitzky, Grothe, et al., 2002
	3	Deformation	573.0	w m	Ne	IR	Grothe and Willner, 1996 Kopitzky, Grothe, et al., 2002
	3	Deformation	570		Ar	IR	Kopitzky, Grothe, et al., 2002
	4	Deformation	337.2	w	Ne	IR	Kopitzky, Grothe, et al., 2002
b₁	6	Deformation	644.3	w m	Ne	IR	Grothe and Willner, 1996 Kopitzky, Grothe, et al., 2002
	6	Deformation	641		Ar	IR	Kopitzky, Grothe, et al., 2002
	7	Deformation	354.0	w	Ne	IR	Kopitzky, Grothe, et al., 2002
b₂	8	ClO₂ a-stretch	1233.6	vs	Ne	IR	Grothe and Willner, 1996 Kopitzky, Grothe, et al., 2002
	8	ClO₂ a-stretch	1227		Ar	IR	Kopitzky, Grothe, et al., 2002
	9	Deformation	544.3	w	Ne	IR	Kopitzky, Grothe, et al., 2002

Additional references: Jacox, 1998, page 306

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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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]

Grothe and Willner, 1996
Grothe, H.; Willner, H., Chlortetraoxid, Angew. Chem., 1996, 108, 7, 816, https://doi.org/10.1002/ange.19961080715 . [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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