Nitric oxide

Formula: NO
Molecular weight: 30.0061
IUPAC Standard InChI: InChI=1S/NO/c1-2
IUPAC Standard InChIKey: MWUXSHHQAYIFBG-UHFFFAOYSA-N
CAS Registry Number: 10102-43-9
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.
Other names: Nitrogen oxide; Nitrogen monoxide; Nitrosyl radical; NO; Amidogen, oxo-; Nitrogen oxide (NO); UN 1660
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Gas phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	21.58	kcal/mol	Review	Chase, 1998	Data last reviewed in June, 1963
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	50.373	cal/mol*K	Review	Chase, 1998	Data last reviewed in June, 1963

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.

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Temperature (K)	298. to 1200.	1200. to 6000.
A	5.696681	8.602221
B	3.008791	0.228769
C	-0.272230	-0.035380
D	-0.357901	0.002384
E	0.051194	-0.717994
F	19.92300	17.47320
G	56.67349	58.83411
H	21.58010	21.58010
Reference	Chase, 1998	Chase, 1998
Comment	Data last reviewed in June, 1963	Data last reviewed in June, 1963

Phase change data

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Data compiled by: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Δ_vapH (kcal/mol)	Temperature (K)	Method	Reference
3.30	212.	C	Johnston and Giauque, 1929

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	Comment
0.0019	1400.	L	N/A
0.0019	1700.	Q	N/A	Only the tabulated data between T = 273. K and T = 303. K from missing citation was used to derive k_H and -Δ k_H/R. Above T = 303. K the tabulated data could not be parameterized by equation (reference missing) very well. The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by missing citation. The quantities A and α from missing citation were assumed to be identical.
0.0019		C	N/A
0.0019	1500.	L	N/A
0.0014		M	N/A
7.9×10^-7	3800.	L	N/A

Gas phase ion energetics data

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Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to NO⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	9.2642 ± 0.00002	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	127.1	kcal/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	120.8	kcal/mol	N/A	Hunter and Lias, 1998	HL

Proton affinity at 298K

Proton affinity (kcal/mol)	Reference	Comment
125.75 ± 0.30	Kuo, Zhang, et al., 1997	T = 0K; Photoionization of HNO yields DHf(HNO+) from which PA(NO) is calculated at 0 K and 298K.; MM

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.26438 ± 0.00005	TE	Reiser, Habenicht, et al., 1988	LL
9.26405 ± 0.00006	TE	Sander, Chewter, et al., 1987	LBLHLM
9.26383	PI	Muller-Dethlefs, Sander, et al., 1984	LBLHLM
9.2644	S	Seaver, Chupka, et al., 1983	LBLHLM
9.2643 ± 0.0002	PI	Ebata, Anezaki, et al., 1983	LBLHLM
9.23	PE	Fantoni, Giardini-Guidoni, et al., 1982	LBLHLM
9.2 ± 0.1	EI	Kim, Stephan, et al., 1981	LLK
9.54	PE	Kimura, Katsumata, et al., 1981	LLK
9.26436	EVAL	Huber and Herzberg, 1979	LLK
9.26436 ± 0.00006	S	Miescher, 1976	LLK
9.27	PE	Natalis, 1973	LLK
9.262 ± 0.003	PE	Edqvist, Asbrink, et al., 1971	LLK
9.27	PE	Collin, Delwiche, et al., 1971	LLK
9.25 ± 0.02	EI	Hildenbrand, 1970	RDSH
9.25 ± 0.15	EI	Cristy and Mamantov, 1970	RDSH
9.267	TE	Peatman, Borne, et al., 1969	RDSH
9.2639 ± 0.0006	S	Jungen and Miescher, 1969	RDSH
9.27 ± 0.05	EI	Cantone, Emma, et al., 1968	RDSH
9.28 ± 0.03	EI	Hierl and Franklin, 1967	RDSH
9.266 ± 0.008	S	Dressler and Miescher, 1965	RDSH
9.250 ± 0.005	PI	Nicholson, 1963	RDSH
9.267 ± 0.005	S	Huber, 1961	RDSH
9.25 ± 0.02	PI	Watanabe, 1954	RDSH
9.26	PE	Kibel and Nyberg, 1979	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
N⁺	19.56	O^-	PI	Erman, Karawajczyk, et al., 1995	LL
N⁺	21.02	O	PI	Erman, Karawajczyk, et al., 1995	LL
N⁺	19.56 ± 0.03	O^-	PI	Oertel, Schenk, et al., 1980	LLK
N⁺	19.6 ± 0.2	O^-	EI	Locht and Momigny, 1971	LLK
N⁺	19.94 ± 0.14	O^-	EI	Hierl and Franklin, 1967	RDSH
N⁺	34.1 ± 0.7	O⁺	EI	Appell, Durup, et al., 1966	RDSH
N⁺	19.55 ± 0.04	O^-	EI	Cloutier and Schiff, 1959	RDSH
N⁺	21.11 ± 0.04	O	EI	Cloutier and Schiff, 1959	RDSH
N₄⁺	21.78 ± 0.11	O	EI	Hierl and Franklin, 1967	RDSH
O⁺	20.12	N	PI	Erman, Karawajczyk, et al., 1995	LL
O⁺	20.1 ± 0.3	N	EI	Doong and Bizot, 1973	LLK
O⁺	20.46 ± 0.10	N	EI	Hierl and Franklin, 1967	RDSH
O⁺	20.11 ± 0.03	N	EI	Cloutier and Schiff, 1959	RDSH

Anion protonation reactions

+ =

By formula: NO^- + H⁺ = HNO

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	361.27 ± 0.15	kcal/mol	D-EA	Travers, Cowles, et al., 1989	gas phase; ground state triplet anion; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	354.68 ± 0.34	kcal/mol	H-TS	Travers, Cowles, et al., 1989	gas phase; ground state triplet anion; B

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, 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]

Johnston and Giauque, 1929
Johnston, H.L.; Giauque, W.F., THE HEAT CAPACITY OF NITRIC OXIDE FROM 14°K. TO THE BOILING POINT AND THE HEAT OF VAPORIZATION. VAPOR PRESSURES OF SOLID AND LIQUID PHASES. THE ENTROPY FROM SPECTROSCOPIC DATA, J. Am. Chem. Soc., 1929, 51, 11, 3194-3214, https://doi.org/10.1021/ja01386a004 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Kuo, Zhang, et al., 1997
Kuo, S.C.; Zhang, Z.Y.; Ross, S.K.; Klemm, R.B.; Johnson, R.D.; Monks, P.S.; Thorn, R.P.; Stief, L.J., Discharge flow-photoionization mass spectrometric study of HNO: Phtoionization efficiency spectrum and ionization energy and proton affinity of NO, J. Phys. Chem. A, 1997, 101, 4035. [all data]

Reiser, Habenicht, et al., 1988
Reiser, G.; Habenicht, W.; Muller-Dethlefs, K.; Schlag, E.W., The ionization energy of nitric oxide, Chem. Phys. Lett., 1988, 152, 119. [all data]

Sander, Chewter, et al., 1987
Sander, N.; Chewter, L.A.; Muller-Dethlefs, K.; Schlag, E.W., High-resolution zero-kinetic-energy photoelectron spectroscopy of nitric oxide, Phys. Rev. A:, 1987, 36, 4543. [all data]

Muller-Dethlefs, Sander, et al., 1984
Muller-Dethlefs, K.; Sander, M.; Schlag, E.W., Two-colour photoionization resonance spectroscopy of NO: Complete separation of rotational levels of NO⁺ + at the ionization threshold, Chem. Phys. Lett., 1984, 112, 291. [all data]

Seaver, Chupka, et al., 1983
Seaver, M.; Chupka, W.A.; Colson, S.D.; Gauyacq, D., Double resonance multiphoton ionization studies of high Rydberg states in NO, J. Phys. Chem., 1983, 87, 2226. [all data]

Ebata, Anezaki, et al., 1983
Ebata, T.; Anezaki, Y.; Fujii, M.; Mikami, N.; Ito, M., High Rydberg states of NO studied by two-color multiphoton spectroscopy, J. Phys. Chem., 1983, 87, 4773. [all data]

Fantoni, Giardini-Guidoni, et al., 1982
Fantoni, R.; Giardini-Guidoni, A.; Tiribelli, R., (e,2e) Spectroscopy of valence states of the NO molecule, J. Electron Spectrosc. Relat. Phenom., 1982, 26, 99. [all data]

Kim, Stephan, et al., 1981
Kim, Y.B.; Stephan, K.; Mark, E.; Mark, T.D., Single and double ionization of nitric oxide by electron impact from threshold up to 180 eV, J. Chem. Phys., 1981, 74, 6771. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]

Miescher, 1976
Miescher, E., High resolution absorption spectrum of nitric oxide (NO) in the region of the first ionization limit, Can. J. Phys., 1976, 54, 2074. [all data]

Natalis, 1973
Natalis, P., Contribution a la spectroscopie photoelectronique. Effets de l'autoionisation dans less spectres photoelectroniques de molecules diatomiques et triatomiques, Acad. R. Belg. Mem. Cl. Sci. Collect. 8, 1973, 41, 1. [all data]

Edqvist, Asbrink, et al., 1971
Edqvist, O.; Asbrink, L.; Lindholm, E., On the photoelectron spectrum of NO, Z. Naturforsch. A:, 1971, 26, 1407. [all data]

Collin, Delwiche, et al., 1971
Collin, J.E.; Delwiche, J.; Natalis, P., Energy levels of NO⁺ ion by He and Ar resonance lines photoelectron spectrometry, Intern. J. Mass Spectrom. Ion Phys., 1971, 7, 19. [all data]

Hildenbrand, 1970
Hildenbrand, D.L., Electron impact studies of the IIA metal chlorides, Intern. J. Mass Spectrom. Ion Phys., 1970, 4, 75. [all data]

Cristy and Mamantov, 1970
Cristy, S.S.; Mamantov, G., Cryogenic mass spectrometry of reactive fluorine-containing species. I. The mass spectra of sulfur hexafluoride, chlorine trifluoride, chlorine monofluoride, nitrosyl fluoride and tetrafluorohydrazine, Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 309. [all data]

Peatman, Borne, et al., 1969
Peatman, W.B.; Borne, T.B.; Schlag, E.W., Photoionization resonance spectra. I. Nitric oxide and benzene, Chem. Phys. Lett., 1969, 3, 492. [all data]

Jungen and Miescher, 1969
Jungen, C.; Miescher, E., Absorption spectrum of the NO molecule. IX. The structure of the f complexes, the ionization potential of NO, and the quadrupole moment of NO⁺, Can. J. Phys., 1969, 47, 1769. [all data]

Cantone, Emma, et al., 1968
Cantone, B.; Emma, V.; Grasso, F., Fine structure near the ionization threshold of Kr, O₂, and NO by electron impact, Adv. Mass Spectrom., 1968, 4, 599. [all data]

Hierl and Franklin, 1967
Hierl, P.M.; Franklin, J.L., Appearance potentials and kinetic energies of ions from N₂, CO, and NO, J. Chem. Phys., 1967, 47, 3154. [all data]

Dressler and Miescher, 1965
Dressler, K.; Miescher, E., Absorption spectrum of the NO molecule. V. Survey of excited states and theirinteractions, Astrophys. J., 1965, 141, 1266. [all data]

Nicholson, 1963
Nicholson, A.J.C., Photo-ionization efficiency curves. Measurement of ionization potentials and interpretation of fine structure, J. Chem. Phys., 1963, 39, 954. [all data]

Huber, 1961
Huber, K.P., Die Rydberg-Serien im Absorptions-spektrum des NO-Molekuls, Helv. Phys. Acta, 1961, 34, 929. [all data]

Watanabe, 1954
Watanabe, K., Photoionization and total absorption cross section of gases. I. Ionization potentials of several molecules. Cross sections of NH₃ and NO, J. Chem. Phys., 1954, 22, 1564. [all data]

Kibel and Nyberg, 1979
Kibel, M.H.; Nyberg, G.L., Angular distribution valence photoelectron spectra of nitric oxide, J. Electron Spectrosc. Relat. Phenom., 1979, 17, 1. [all data]

Erman, Karawajczyk, et al., 1995
Erman, P.; Karawajczyk, A.; Rachlew-Kallne, E.; Stromholm, C., Photoionization and photodissociation of nitric oxide in the range 9-35 eV, J. Chem. Phys., 1995, 102, 3064. [all data]

Oertel, Schenk, et al., 1980
Oertel, H.; Schenk, H.; Baumgartel, H., Ion pair formation from photon irradiation of O₂, NO and CO in 17-30 eV, Chem. Phys., 1980, 46, 251. [all data]

Locht and Momigny, 1971
Locht, R.; Momigny, J., Mass spectrometric study of ion-pair processes in diatomic molecules: H₂, CO, NO and O₂, Int. J. Mass Spectrom. Ion Phys., 1971, 7, 121. [all data]

Appell, Durup, et al., 1966
Appell, J.; Durup, J.; Heitz, F., Sur le seuil d'apparition des ions fragments produits avec exces d'energie cinetique, Advan. Mass Spectrom., 1966, 3, 457. [all data]

Cloutier and Schiff, 1959
Cloutier, G.G.; Schiff, H.I., Electron impact study of nitric oxide using a modified retarding potential difference method, J. Chem. Phys., 1959, 31, 793. [all data]

Doong and Bizot, 1973
Doong, P.; Bizot, M., Dissociation uni- et bi-moleculaire des ions NO⁺, Int. J. Mass Spectrom. Ion Phys., 1973, 10, 227. [all data]

Travers, Cowles, et al., 1989
Travers, M.J.; Cowles, D.C.; Ellison, G.B., Reinvestigation of the Electron Affinities of O2 and NO, Chem. Phys. Lett., 1989, 164, 5, 449, https://doi.org/10.1016/0009-2614(89)85237-6 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, References

Symbols used in this document:

AE	Appearance energy
IE (evaluated)	Recommended ionization energy
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
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_vapH	Enthalpy of vaporization

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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