Dinitrogen trioxide

Formula: N₂O₃
Molecular weight: 76.0116
IUPAC Standard InChI: InChI=1S/N2O3/c3-1-2(4)5
IUPAC Standard InChIKey: LZDSILRDTDCIQT-UHFFFAOYSA-N
CAS Registry Number: 10544-73-7
Chemical structure:
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Gas phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	82.84	kJ/mol	Review	Chase, 1998	Data last reviewed in December, 1964
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	308.54	J/mol*K	Review	Chase, 1998	Data last reviewed in December, 1964

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
C_p = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.

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Temperature (K)	298. - 1100.	1100. - 6000.
A	39.09663	100.8737
B	114.8006	1.690785
C	-81.97125	-0.339747
D	21.77249	0.023407
E	-0.088738	-8.849160
F	66.46786	30.72094
G	324.5776	399.7498
H	82.84320	82.84320
Reference	Chase, 1998	Chase, 1998
Comment	Data last reviewed in December, 1964	Data last reviewed in December, 1964

Henry's Law data

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Data compiled by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

k°_H (mol/(kg*bar))	d(ln(k_H))/d(1/T) (K)	Method	Reference
26.		C	N/A
0.60		L	N/A

Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

State: A

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


T_x = 13900	T	Ne	A-X	700	900	Jacox and Thompson, 1990
T_x = 13900	T	N₂	A-X	700	900	Varetti and Pimentel, 1971

State: X

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


a'	1	N=O stretch	1829.54		gas	IR	D'Or and Tarte, 1953 Bibart and Ewing, 1974 Chewter, Smith, et al., 1988 Georges, Lievin, et al., 1996
	1	N=O stretch	1831.5	s	Ne	IR	Jacox and Thompson, 1990 Beckers, Zeng, et al., 2010
	1	N=O stretch	1830.0	s	Ne	IR	Jacox and Thompson, 1990 Beckers, Zeng, et al., 2010
	1	N=O stretch	1831.5		Ar	IR	Koch and Sodeau, 1996 -I Lee, Lee, et al., 1998
	1	N=O stretch	1840	m	N₂	IR	Varetti and Pimentel, 1971 Koch and Sodeau, 1996
	1	N=O stretch	1867	vs	O₂	IR	Fateley, Bent, et al., 1959
	1	N=O stretch	1861		NO	IR Ra	Nour, Chen, et al., 1983
	2	NO₂ a-stretch	1652		gas	IR	Bibart and Ewing, 1974
	2	NO₂ a-stretch	1643.3	s	Ne	IR	Jacox and Thompson, 1990 Beckers, Zeng, et al., 2010
	2	NO₂ a-stretch	1630.1		Ar	IR	Koch and Sodeau, 1996 -I Lee, Lee, et al., 1998
	2	NO₂ a-stretch	1630	vs	N₂	IR	Varetti and Pimentel, 1971 Koch and Sodeau, 1996
	2	NO₂ a-stretch	1596	s	O₂	IR	Fateley, Bent, et al., 1959
	2	NO₂ a-stretch	1593		NO	IR Ra	Nour, Chen, et al., 1983
	3	NO₂ s-stretch	1304.25		gas	IR	D'Or and Tarte, 1953 Bibart and Ewing, 1974 Andrews, Domenech, et al., 1994
	3	NO₂ s-stretch	1302.5	s	Ne	IR	Jacox and Thompson, 1990 Beckers, Zeng, et al., 2010
	3	NO₂ s-stretch	1296.2		Ar	IR	Koch and Sodeau, 1996 -I Lee, Lee, et al., 1998
	3	NO₂ s-stretch	1302	s	N₂	IR	Varetti and Pimentel, 1971 Koch and Sodeau, 1996
	3	NO₂ s-stretch	1303		O₂	IR	Fateley, Bent, et al., 1959
	3	NO₂ s-stretch	1298		NO	IR Ra	Nour, Chen, et al., 1983
	4	NO₂ deform.	773		gas	IR	D'Or and Tarte, 1953 Bibart and Ewing, 1974
	4	NO₂ deform.	773.1	w m	Ne	IR	Jacox and Thompson, 1990 Beckers, Zeng, et al., 2010
	4	NO₂ deform.	769.2		Ar	IR	Koch and Sodeau, 1996 -I Lee, Lee, et al., 1998
	4	NO₂ deform.	776	w m	N₂	IR	Varetti and Pimentel, 1971 Koch and Sodeau, 1996
	4	NO₂ deform.	788		O₂	IR	Fateley, Bent, et al., 1959
	4	NO₂ deform.	787		NO	IR Ra	Nour, Chen, et al., 1983
	5	NO₂ rock	414		gas	IR	Bibart and Ewing, 1974
	5	NO₂ rock	420	w	N₂	IR	Varetti and Pimentel, 1971
	5	NO₂ rock	405		NO	Ra	Nour, Chen, et al., 1983
	6	N-N stretch	241		gas	IR	Bibart and Ewing, 1974
	6	N-N stretch	266		NO	Ra	Nour, Chen, et al., 1983
	7	NO₂ wag	205		NO	Ra	Nour, Chen, et al., 1983
a	8	NNO₂ OPLA	627		NO	Ra	Nour, Chen, et al., 1983
	9	Torsion	63		gas	IR MW	Bibart and Ewing, 1974 Demaison, Herman, et al., 2007
	9	Torsion	70		NO	Ra	Nour, Chen, et al., 1983

Additional references: Jacox, 1994, page 286; Jacox, 1998, page 300; Jacox, 2003, page 299; Brittain, Cox, et al., 1969

Notes

Weak

Medium

Strong

Very strong

Tentative assignment or approximate value

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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Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Jacox and Thompson, 1990
Jacox, M.E.; Thompson, W.E., The vibrational spectra of molecular ions isolated in solid neon. IV. NO+, NO-, ONNO+, and ONNO-, J. Chem. Phys., 1990, 93, 11, 7609, https://doi.org/10.1063/1.459392 . [all data]

Varetti and Pimentel, 1971
Varetti, E.L.; Pimentel, G.C., Isomeric Forms of Dinitrogen Trioxide in a Nitrogen Matrix, J. Chem. Phys., 1971, 55, 8, 3813, https://doi.org/10.1063/1.1676666 . [all data]

D'Or and Tarte, 1953
D'Or, L.; Tarte, P., Bull. Soc. Roy. Sci. Liege, 1953, 22, 276. [all data]

Bibart and Ewing, 1974
Bibart, C.H.; Ewing, G.E., Vibrational spectrum of gaseous N2O3, J. Chem. Phys., 1974, 61, 4, 1293, https://doi.org/10.1063/1.1682052 . [all data]

Chewter, Smith, et al., 1988
Chewter, L.A.; Smith, I.W.M.; Yarwood, G., A high resolution FTIR spectroscopic study of the, Mol. Phys., 1988, 63, 5, 843, https://doi.org/10.1080/00268978800100601 . [all data]

Georges, Lievin, et al., 1996
Georges, R.; Lievin, J.; Herman, M.; Perrin, A., The ν1 band in N2O3, Chem. Phys. Lett., 1996, 256, 6, 665, https://doi.org/10.1016/0009-2614(96)00510-6 . [all data]

Beckers, Zeng, et al., 2010
Beckers, H.; Zeng, X.; Willner, H., Intermediates Involved in the Oxidation of Nitrogen Monoxide: Photochemistry of the, Chem. Eur. J., 2010, 16, 5, 1506, https://doi.org/10.1002/chem.200902406 . [all data]

Koch and Sodeau, 1996
Koch, T.G.; Sodeau, J.R., J. Chem. Soc., 1996, Faraday Trans. 92, 2347. [all data]

-I Lee, Lee, et al., 1998
-I Lee, C.; Lee, Y.-P.; Wang, X.; Qin, Q.-Z., Isomers of N[sub 2]O[sub 3]: Observation of trans-cis N[sub 2]O[sub 3] in solid Ar, J. Chem. Phys., 1998, 109, 23, 10446, https://doi.org/10.1063/1.477700 . [all data]

Fateley, Bent, et al., 1959
Fateley, W.G.; Bent, H.A.; Crawford, B., Jr., Infrared Spectra of the Frozen Oxides of Nitrogen, J. Chem. Phys., 1959, 31, 1, 204, https://doi.org/10.1063/1.1730296 . [all data]

Nour, Chen, et al., 1983
Nour, E.M.; Chen, L.-H.; Laane, J., Interconversion studies and characterization of asymmetric and symmetric dinitrogen trioxide in nitric oxide matrixes by Raman and infrared spectroscopy, J. Phys. Chem., 1983, 87, 7, 1113, https://doi.org/10.1021/j100230a006 . [all data]

Andrews, Domenech, et al., 1994
Andrews, A.M.; Domenech, J.L.; Fraser, G.T.; Lafferty, W.J., Molecular Beam Diode-Laser Spectrum of the ν3 Band of N2O3 at 1304 cm-1, J. Mol. Spectrosc., 1994, 163, 2, 428, https://doi.org/10.1006/jmsp.1994.1037 . [all data]

Demaison, Herman, et al., 2007
Demaison, J.; Herman, M.; Lievin, J.; Margules, L.; Mollendal, H., Rotational spectrum and structure of asymmetric dinitrogen trioxide, N2O3, J. Mol. Spectrosc., 2007, 244, 2, 160, https://doi.org/10.1016/j.jms.2007.06.003 . [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]

Brittain, Cox, et al., 1969
Brittain, A.H.; Cox, A.P.; Kuczkowski, R.L., Microwave spectrum, structure, low frequency vibrations, dipole moment and quadrupole coupling constants of dinitrogen trioxide, Trans. Faraday Soc., 1969, 65, 1963, https://doi.org/10.1039/tf9696501963 . [all data]

Notes

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Symbols used in this document:

S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
d(ln(k_H))/d(1/T)	Temperature dependence parameter for Henry's Law constant
k°_H	Henry's Law constant at 298.15K
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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