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:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Data at other public NIST sites:
- Gas Phase Kinetics Database
Options:
- Switch to SI units

Gas phase thermochemistry data

Go To: Top, Henry's Law data, Vibrational and/or electronic energy levels, References, Notes

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	19.80	kcal/mol	Review	Chase, 1998	Data last reviewed in December, 1964
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	73.743	cal/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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K)	298. to 1100.	1100. to 6000.
A	9.344319	24.10939
B	27.43800	0.404107
C	-19.59160	-0.081202
D	5.203750	0.005594
E	-0.021209	-2.115000
F	15.88620	7.342481
G	77.57591	95.54250
H	19.80000	19.80000
Reference	Chase, 1998	Chase, 1998
Comment	Data last reviewed in December, 1964	Data last reviewed in December, 1964

Henry's Law data

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

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

Go To: Top, Gas phase thermochemistry data, Henry's Law data, References, Notes

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

Go To: Top, Gas phase thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, Notes

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

Go To: Top, Gas phase thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, References

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
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.