Chlorine nitrate

Formula: ClNO₃
Molecular weight: 97.458
IUPAC Standard InChI: InChI=1S/ClNO3/c1-5-2(3)4
IUPAC Standard InChIKey: XYLGPCWDPLOBGP-UHFFFAOYSA-N
CAS Registry Number: 14545-72-3
Chemical structure:
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Gas phase ion energetics data

Go To: Top, Vibrational and/or electronic energy levels, References, Notes

Data compiled by: Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV)	Method	Reference	Comment
11.04	PE	Wang, Li, et al., 1996
11.56	PE	Wang, Li, et al., 1996	Vertical value

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference
ClO⁺	12.33	NO₂	PI	Jochims, Denzer, et al., 1992
NO⁺	13.1	?	PI	Jochims, Denzer, et al., 1992
NO₂⁺	11.07	ClO	PI	Jochims, Denzer, et al., 1992
NO₂⁺	13.7 ± 0.1	Cl+O	PI	Jochims, Denzer, et al., 1992

Vibrational and/or electronic energy levels

Go To: Top, Gas phase ion energetics data, References, Notes

Data compiled by: Marilyn E. Jacox

State: ?

Energy (cm^-1)		Med.	References


T_d = 25000	U	gas	Shamir, Yellin, et al., 1974

State: X

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


a'	1	NO₂ a-stretch	1736.9	vs	gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Graham, Tuazon, et al., 1977 Ballard, Johnston, et al., 1988 Orphal, Morillon-Chapey, et al., 1997
	1	NO₂ a-stretch	1727.6	s	Ar	IR	Bhatia, George-Taylor, et al., 1983 Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	1	NO₂ a-stretch	1734.0	s	N₂	IR	Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	1	NO₂ a-stretch	1730.0	vs	O₂	IR	Tevault and Smardzewski, 1978 De Saxce and Schriver, 1992
	2	NO₂ s-stretch	1292.84	vs	gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Graham, Tuazon, et al., 1977 Ballard, Johnston, et al., 1988 Orphal, Morillon-Chapey, et al., 1994 Orphal, Morillon-Chapey, et al., 1997 Domenech, Flaud, et al., 1997
	2	NO₂ s-stretch	1285.8	vs	Ar	IR	Bhatia, George-Taylor, et al., 1983 Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	2	NO₂ s-stretch	1291.4	vs	N₂	IR	Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	2	NO₂ s-stretch	1289.7	s	O₂	IR	Tevault and Smardzewski, 1978 De Saxce and Schriver, 1992
	3	ClO stretch	809.4	s	gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Graham, Tuazon, et al., 1977 Ballard, Johnston, et al., 1988 Orphal, Morillon-Chapey, et al., 1997
	3	ClO stretch	801.6	m	Ar	IR	Bhatia, George-Taylor, et al., 1983 Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	3	ClO stretch	809.7	w m	N₂	IR	Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	3	ClO stretch	808.1	m	O₂	IR	Tevault and Smardzewski, 1978 De Saxce and Schriver, 1992
	4	Mixed	780.22	m s	gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Graham, Tuazon, et al., 1977 Ballard, Johnston, et al., 1988 Chiang and Lee, 1991
	4	Mixed	780.22	m s	gas	DL	Bell, Duxbury, et al., 1992 Xu, Blake, et al., 1996 McPheat and Duxbury, 1996 Orphal, Morillon-Chapey, et al., 1997
	4	Mixed	775.6	m	Ar	IR	Bhatia, George-Taylor, et al., 1983 Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	4	Mixed	778.6	m	N₂	IR	Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	4	Mixed	776.3	m	O₂	IR	Tevault and Smardzewski, 1978 De Saxce and Schriver, 1992
	5	Mixed	563.1	s	gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Orphal, Morillon-Chapey, et al., 1997
	5	Mixed	560.9	m s	Ar	IR	Bhatia, George-Taylor, et al., 1983 Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	5	Mixed	563.2	w m	N₂	IR	Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	5	Mixed	559.0	m	O₂	IR	Tevault and Smardzewski, 1978 De Saxce and Schriver, 1992
	6	NO₂ rock	434.0	m	gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Orphal, Morillon-Chapey, et al., 1997
	6	NO₂ rock	426		Ar	IR	Bhatia, George-Taylor, et al., 1983 Griffith, Tyndall, et al., 1984
	6	NO₂ rock	436.5	w	N₂	IR	Griffith, Tyndall, et al., 1984
	6	NO₂ rock	435.0		O₂	IR	Tevault and Smardzewski, 1978
	7	ClO rock	273.3	w	gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Orphal, Morillon-Chapey, et al., 1997
a	8	NO₂ wag	711.21	w	gas	IR	Miller, Bernitt, et al., 1967 Orphal, Morillon-Chapey, et al., 1997 Flaud, Lafferty, et al., 2003
	8	NO₂ wag	710.8	w	Ar	IR	Bhatia, George-Taylor, et al., 1983 Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	8	NO₂ wag	708.4	w	N₂	IR	Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	8	NO₂ wag	704.6	w m	O₂	IR	Tevault and Smardzewski, 1978 De Saxce and Schriver, 1992
	9	Torsion	123.72		gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Fleming, 1977 Chance and Traub, 1982 Orphal, Morillon-Chapey, et al., 1997 Flaud, Lafferty, et al., 2003

Additional references: Jacox, 1994, page 288; Jacox, 1998, page 302; Jacox, 2003, page 301; Illies and Takacs, 1976; Suenram and Johnson, 1977; Suenram and Lovas, 1984; Davidson, Cantrell, et al., 1987; Casper, Lambotte, et al., 1993; Muller, Helminger, et al., 1997

Notes

Weak

Medium

Strong

Very strong

Upper bound

Photodissociation threshold

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Wang, Li, et al., 1996
Wang, D.; Li, Y.; Jiang, P.; Wang, X.; Chen, B., The study of HeI photoelectron spectroscopy (PES) of the electronic structure for ClONO₂, Chem. Phys. Lett., 1996, 260, 99. [all data]

Jochims, Denzer, et al., 1992
Jochims, H.-W.; Denzer, W.; Baumgartel, H.; Losking, O.; Willner, H., Photochemical decay reactions of N₂O₅, HNO₃, ClNO₃ and BrNO₃ in the energy range 10-20 eV, Ber. Bunsen-Ges. Phys. Chem., 1992, 96, 573. [all data]

Shamir, Yellin, et al., 1974
Shamir, J.; Yellin, D.; Claassen, H.H., Isr. J. Chem., 1974, 12, 1015. [all data]

Miller, Bernitt, et al., 1967
Miller, R.H.; Bernitt, D.L.; Hisatsune, I.C., Spectrochim. Acta, 1967, 23A, 223. [all data]

Graham, Tuazon, et al., 1977
Graham, R.A.; Tuazon, E.C.; Winer, A.M.; Pitts, J.N., Jr.; Molina, L.T.; Beaman, L.; Molina, M.J., High resolution infrared absorptivities for gaseous chlorine nitrate, Geophys. Res. Lett., 1977, 4, 1, 3, https://doi.org/10.1029/GL004i001p00003 . [all data]

Ballard, Johnston, et al., 1988
Ballard, J.; Johnston, W.B.; Gunson, M.R.; Wassell, P.T., Absolute absorption coefficients of ClONO, J. Geophys. Res., 1988, 93(D), D2, 1659, https://doi.org/10.1029/JD093iD02p01659 . [all data]

Orphal, Morillon-Chapey, et al., 1997
Orphal, J.; Morillon-Chapey, M.; Diallo, A.; Guelachvili, G., High-Resolution Infrared Spectra and Harmonic Force Field of Chlorine Nitrate, J. Phys. Chem. A, 1997, 101, 6, 10062, https://doi.org/10.1021/jp9619595 . [all data]

Bhatia, George-Taylor, et al., 1983
Bhatia, S.C.; George-Taylor, M.; Merideth, C.W.; Hall, J.H., Jr., Low-temperature infrared spectrum of chlorine nitrate and evidence for the existence of chlorine nitrate (ClOONO), J. Phys. Chem., 1983, 87, 7, 1091, https://doi.org/10.1021/j100230a001 . [all data]

Griffith, Tyndall, et al., 1984
Griffith, D.W.T.; Tyndall, G.S.; Burrows, J.P.; Moortgat, G.K., Matrix-isolation spectra of chlorine nitrate, Chem. Phys. Lett., 1984, 107, 3, 341, https://doi.org/10.1016/0009-2614(84)85141-6 . [all data]

De Saxce and Schriver, 1992
De Saxce, A.; Schriver, L., An infrared study of the UV photolysis of chlorine nitrate trapped in various matrices at 11 K, Chem. Phys. Lett., 1992, 199, 6, 596, https://doi.org/10.1016/0009-2614(92)85016-4 . [all data]

Tevault and Smardzewski, 1978
Tevault, D.E.; Smardzewski, R.R., Synthesis of chlorine nitrate by photolysis of nitrosyl chloride in solid oxygen at 10 K, J. Phys. Chem., 1978, 82, 4, 375, https://doi.org/10.1021/j100493a001 . [all data]

Orphal, Morillon-Chapey, et al., 1994
Orphal, J.; Morillon-Chapey, M.; Guelachvili, G., High-resolution absorption cross sections of chlorine nitrate in the ν, J. Geophys. Res., 1994, 99(D), D7, 14549, https://doi.org/10.1029/94JD00671 . [all data]

Domenech, Flaud, et al., 1997
Domenech, J.L.; Flaud, J.-M.; Fraser, G.T.; Andrews, A.M.; Lafferty, W.J.; Watson, P.L., Infrared Diode-Laser Molecular-Beam Spectrum of the ν2Band of Chlorine Nitrate at 1293 cm-1, J. Mol. Spectrosc., 1997, 183, 2, 228, https://doi.org/10.1006/jmsp.1997.7260 . [all data]

Chiang and Lee, 1991
Chiang, S.-Y.; Lee, Y.-P., Vibronic analysis of the A 2A1--X 2E laser-induced fluorescence of jet-cooled CH3S, J. Chem. Phys., 1991, 95, 1, 66, https://doi.org/10.1063/1.461786 . [all data]

Bell, Duxbury, et al., 1992
Bell, W.; Duxbury, G.; Stuart, D.D., High-resolution spectra of the ν4 band of chlorine nitrate, J. Mol. Spectrosc., 1992, 152, 2, 285, https://doi.org/10.1016/0022-2852(92)90069-Z . [all data]

Xu, Blake, et al., 1996
Xu, S.; Blake, T.A.; Sharpe, S.W., High-Resolution Infrared Spectroscopy of the ν4Fundamental Band of Chlorine Nitrate, J. Mol. Spectrosc., 1996, 175, 2, 303, https://doi.org/10.1006/jmsp.1996.0036 . [all data]

McPheat and Duxbury, 1996
McPheat, R.; Duxbury, G., Absorption coefficients of ClONO, J. Geophys. Res., 1996, 101(D), D3, 6803, https://doi.org/10.1029/95JD02927 . [all data]

Flaud, Lafferty, et al., 2003
Flaud, J.-M.; Lafferty, W.J.; Orphal, J.; Birk, M.; Wagner, G., First high-resolution analyses of the ν, Mol. Phys., 2003, 101, 10, 1527, https://doi.org/10.1080/0026897031000108087 . [all data]

Fleming, 1977
Fleming, J.W., Far infrared rotational and torsional absorption spectra of chlorine nitrate, Chem. Phys. Lett., 1977, 50, 1, 107, https://doi.org/10.1016/0009-2614(77)80690-8 . [all data]

Chance and Traub, 1982
Chance, K.V.; Traub, W.A., The torsional spectrum of chlorine nitrate, J. Mol. Spectrosc., 1982, 95, 2, 306, https://doi.org/10.1016/0022-2852(82)90131-X . [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]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Illies and Takacs, 1976
Illies, A.J.; Takacs, G.A., Gas phase ultra-violet photoabsorption cross-sections for nitrosyl chloride and nitryl chloride, J. Photochem., 1976, 6, 1, 35, https://doi.org/10.1016/0047-2670(76)87005-0 . [all data]

Suenram and Johnson, 1977
Suenram, R.D.; Johnson, D.R., Microwave spectrum of chlorine nitrate (ClNO3), J. Mol. Spectrosc., 1977, 65, 2, 239, https://doi.org/10.1016/0022-2852(77)90191-6 . [all data]

Suenram and Lovas, 1984
Suenram, R.D.; Lovas, F.J., Millimeter wave spectrum of chlorine nitrate, J. Mol. Spectrosc., 1984, 105, 2, 351, https://doi.org/10.1016/0022-2852(84)90225-X . [all data]

Davidson, Cantrell, et al., 1987
Davidson, J.A.; Cantrell, C.A.; Shetter, R.E.; McDaniel, A.H.; Calvert, J.G., Absolute infrared absorption cross sections for ClONO, J. Geophys. Res., 1987, 92(D), D9, 10921, https://doi.org/10.1029/JD092iD09p10921 . [all data]

Casper, Lambotte, et al., 1993
Casper, B.; Lambotte, P.; Minkwitz, R.; Oberhammer, H., Gas-phase structures of chlorine and bromine nitrate (ClONO2 and BrONO2), J. Phys. Chem., 1993, 97, 39, 9992, https://doi.org/10.1021/j100141a017 . [all data]

Muller, Helminger, et al., 1997
Muller, H.S.P.; Helminger, P.; Young, S.H., Millimeter and Submillimeter Spectroscopy of Chlorine Nitrate: The Cl Quadrupole Tensor and the Harmonic Force Field, J. Mol. Spectrosc., 1997, 181, 2, 363, https://doi.org/10.1006/jmsp.1996.7183 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

Symbols used in this document:

AE Appearance energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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