ClOClO3

Formula: Cl₂O₄
Molecular weight: 134.904
CAS Registry Number: 27218-16-2
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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.	References


T_x = 42740	gas	Lopez and Sicre, 1988

State: X

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


a'	1	ClO₂ s-stretch	1283	vs	gas	IR	Schack and Pilipovich, 1970 Christe, Schack, et al., 1971 Schell-Sorokin, Bethune, et al., 1982 Burkholder, Orlando, et al., 1990
	1	ClO₂ s-stretch	1293.2		Ne	IR	Muller and Willner, 1993
	1	ClO₂ s-stretch	1287	vs	Ar	IR	Christe, Schack, et al., 1971
	2	Cl=O stretch	1040	s	gas	IR	Schack and Pilipovich, 1970 Christe, Schack, et al., 1971
	2	Cl=O stretch	1040.2		Ne	IR	Muller and Willner, 1993
	2	Cl=O stretch	1039	s	Ar	IR	Christe, Schack, et al., 1971
	3	O-Cl stretch	749	w m	gas	IR	Schack and Pilipovich, 1970 Christe, Schack, et al., 1971
	3	O-Cl stretch	747.5		Ne	IR	Muller and Willner, 1993
	3	O-Cl stretch	746	m	Ar	IR	Christe, Schack, et al., 1971
	4	Cl-O stretch	646	vs	gas	IR	Schack and Pilipovich, 1970 Christe, Schack, et al., 1971
	4	Cl-O stretch	652.1		Ne	IR	Muller and Willner, 1993
	4	Cl-O stretch	647	vs	Ar	IR	Christe, Schack, et al., 1971
	5	O=Cl=O bend	580	s	gas	IR	Christe, Schack, et al., 1971
	5	O=Cl=O bend	586.9		Ne	IR	Muller and Willner, 1993
	5	O=Cl=O bend	582	m	Ar	IR	Christe, Schack, et al., 1971
	6	ClO₃ deform.	511	w m	gas	IR	Christe, Schack, et al., 1971
	6	ClO₃ deform.	514.6		Ne	IR	Muller and Willner, 1993
	6	ClO₃ deform.	513	m	Ar	IR	Christe, Schack, et al., 1971
	7	O=Cl-O bend	355	w	Ar	IR	Christe, Schack, et al., 1971
a	9	ClO₂ a-stretch	1283	vs	gas	IR	Schack and Pilipovich, 1970 Christe, Schack, et al., 1971 Schell-Sorokin, Bethune, et al., 1982 Burkholder, Orlando, et al., 1990
	9	ClO₂ a-stretch	1277.6		Ne	IR	Muller and Willner, 1993
	9	ClO₂ a-stretch	1271	vs	Ar	IR	Christe, Schack, et al., 1971
	10	O=Cl=O bend	561	m	gas	IR	Christe, Schack, et al., 1971
	10	O=Cl=O bend	565.3		Ne	IR	Muller and Willner, 1993
	10	O=Cl=O bend	561	m s	Ar	IR	Christe, Schack, et al., 1971
	11	O=Cl-O bend	382	w	Ar	IR	Christe, Schack, et al., 1971

Additional references: Jacox, 1994, page 355; Jacox, 1998, page 322

Notes

Weak

Medium

Strong

Very strong

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

References

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Lopez and Sicre, 1988
Lopez, M.I.; Sicre, J.E., Ultraviolet spectrum of chlorine perchlorate, J. Phys. Chem., 1988, 92, 2, 563, https://doi.org/10.1021/j100313a062 . [all data]

Schack and Pilipovich, 1970
Schack, C.J.; Pilipovich, D., Chlorine perchlorate, Inorg. Chem., 1970, 9, 6, 1387, https://doi.org/10.1021/ic50088a019 . [all data]

Christe, Schack, et al., 1971
Christe, K.O.; Schack, C.J.; Curtis, E.C., Halogen perchlorates. Vibrational spectra, Inorg. Chem., 1971, 10, 8, 1589, https://doi.org/10.1021/ic50102a009 . [all data]

Schell-Sorokin, Bethune, et al., 1982
Schell-Sorokin, A.J.; Bethune, D.S.; Lankard, J.R.; Loy, M.M.T.; Sorokin, P.P., Chlorine perchlorate a major photolysis product of chlorine dioxide, J. Phys. Chem., 1982, 86, 24, 4653, https://doi.org/10.1021/j100221a001 . [all data]

Burkholder, Orlando, et al., 1990
Burkholder, J.B.; Orlando, J.J.; Howard, C.J., Ultraviolet absorption cross sections of chlorine oxide (Cl2O2) between 210 and 410 nm, J. Phys. Chem., 1990, 94, 2, 687, https://doi.org/10.1021/j100365a033 . [all data]

Muller and Willner, 1993
Muller, H.S.P.; Willner, H., Vibrational and electronic spectra of chlorine dioxide, OClO, and chlorine superoxide ClOO, isolated in cryogenic matrixes, J. Phys. Chem., 1993, 97, 41, 10589, https://doi.org/10.1021/j100143a013 . [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]

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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