Nitrosyl ion

Formula: NO⁺
Molecular weight: 30.0056
IUPAC Standard InChI: InChI=1S/NO/c1-2/q+1
IUPAC Standard InChIKey: KEJOCWOXCDWNID-UHFFFAOYSA-N
CAS Registry Number: 14452-93-8
Chemical structure:
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Other names: NO+; Nitrogen oxide cation
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Gas phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	198.22	J/mol*K	Review	Chase, 1998	Data last reviewed in June, 1966

Constants of diatomic molecules

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Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through March, 1977

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	internuclear distance (Å)
Trans.	observed transition(s) corresponding to electronic state
ν₀₀	position of 0-0 band (units noted in table)

Diatomic constants for ¹⁴N¹⁶O⁺
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
¹Π	534.4 eV 1
¹Π	↳Siegbahn, Nordling, et al., 1969; Davis and Shirley, 1972
³Π	533.9 eV 1
³Π	↳Siegbahn, Nordling, et al., 1969; Davis and Shirley, 1972
¹Π	402.3 eV 2
¹Π	↳Siegbahn, Nordling, et al., 1969; Davis and Shirley, 1972
³Π	400.9 eV 2
³Π	↳Siegbahn, Nordling, et al., 1969; Davis and Shirley, 1972
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
¹Π	34.5 eV 3
¹Π	↳Siegbahn, Nordling, et al., 1969; Davis and Shirley, 1972
³Π	31.3 eV 3
³Π	↳Siegbahn, Nordling, et al., 1969; Davis and Shirley, 1972
(B' ¹Σ⁺)	(109400) 4	(730) 4	7
c ³Π	(100780) 5	(1900)
A ¹Π	73471.72 6	1601.93 Z	20.207	-0.2683	1.5860 7	0.0245		[5.6E-6]		1.1931	A → X 8 9 R	73083.46 Z
A ¹Π	↳Baer and Miescher, 1953; Tanaka, 1953; missing citation; Field, 1973; Alberti and Douglas, 1975
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
W ¹Δ	71450	1278 10	16.0 11		(1.361) 12	(0.0192)				(1.288)
A' ¹Σ⁺	69540	1283 10	13.5 11		(1.363) 12	(0.0192)				(1.287)
b' ³Σ^-	67720	1284 10	10.₇ 11		1.357 13	(0.0192)				1.290	b' → X 14
b' ³Σ^-	↳Maier and Holland, 1971; Field, 1973
w ³Δ	61880	1313 10	10.₆ 11		(1.377) 12	(0.0192)				(1.280)
b ³Πp	59240	1710	(14) 12 11		(1.634) 12	(0.0184) 12				(1.175)	b → X	58900
b ³Πp	↳Maier and Holland, 1971
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
a ³Σ⁺	52190	1293 10	15.₁ 11		(1.369) 12	(0.0192)				(1.284)
Neither photoelectron spectra Turner and May, 1966, Price, 1968, Samson, 1968 nor charge exchange experiments Sjogren and Szabo, 1968 have confirmed the existence of a previously predicted Tanaka, 1942, Huber, 1961 electronic state of NO⁺ at 39960 cm^-1 above ¹Σ⁺. See Huber, 1968.
X ¹Σ⁺	0	2376.42 Z	16.262 11		1.99727 15	0.01889		5.64E-6		1.06322 16
X ¹Σ⁺	↳Stair and Gauvin, 1967

Notes

Removal of a 1σ(1s_O)19 electron; observed in X-ray photoelectron spectra

Removal of a 2σ(1s_N)19 electron; observed in X-ray photoelectron spectra

Removal of a 3σ electron; observed in X-ray photoelectron spectra

Long vibrational progression in the photoelectron spectrum at ~23 eV Edqvist, Lindholm, et al., 1970, Edqvist, Asbrink, et al., 1971; neither the vibrational numbering nor the assignment to B' ¹Σ+ are certain. Lefebvre-Brion, 1971 suggests a mixed ¹Π state resulting from configuration interaction between states arising from ...4σ5σ²lπ⁴2π (like c ³Π) and ...4σ²5σ1π³2π². See also Thulstrup and Ohrn, 1972, Thulstrup, Thulstrup, et al., 1974.

Limit of the Narayana-Price Rydberg series. Single strong peak in the photoelectron spectrum at 21.72 eV Price, 1968, Samson, 1968, Edqvist, Lindholm, et al., 1970, Edqvist, Asbrink, et al., 1971. The high-energy wing is overlapped by weak unresolved structure (w ~ 400) tentatively attributed to the corresponding ¹Π state by Edqvist, Asbrink, et al., 1971; see, however, 4. Predissociation into N⁺ + O Hertz, Jochims, et al., 1974.

Limit of Tanaka's γ Rydberg series. Short progression in the photoelectron spectrum Turner and May, 1966, Price, 1968, Edqvist, Lindholm, et al., 1970, Edqvist, Asbrink, et al., 1971; see 11.

Perturbations by b' ³Σ- Miescher, 1955, Field, 1973, Alberti and Douglas, 1975.

Radiative lifetime τ(v=0)= 56 ns Hesser and Dressler, 1966, Hesser, 1968; f₀₀ = 0.00025. Variation of transition moment with r Aarts and de Heer, 1971, Mentall and Morgan, 1972, Stone and Zipf, 1972.

Franck-Condon factors Nicholls, 1968, Wentink and Spindler, 1970, Coxon, Clyne, et al., 1975.

Long upper state progression in the photoelectron spectrum Edqvist, Lindholm, et al., 1970, Edqvist, Asbrink, et al., 1971; see 11.

Franck-Condon factors for ionizing transitions from X ²Π Wacks, 1964, Halmann and Laulicht, 1965, Spohr and Puttkamer, 1967, Nicholls, 1968, Field, 1973, Coxon, Clyne, et al., 1975.

Interpolated using data for CO and N₂ Field, 1973.

Adjusted to give agreement with B₅ = 1.2512 Field, 1973 as obtained from a perturbation analysis Field, 1973.

Fragments in emission from perturbed A ¹Π ~ b' ³Σ^- levels.

Quadrupole moment of NO⁺ Q_m= +0.79E-26 esu cm² Jungen and Miescher, 1969; see also Jungen and Lefebvre-Brion, 1970, Billingsley and Krauss, 1974.

Vibr.-rot. sp. 21

D₀⁰(NO) + I.P.(O) - I.P.(NO).

Average of two values obtained by electron impact mass spectrometry Dorman and Morrison, 1961 and double charge transfer spectroscopy Appell, Durup, et al., 1973. A similar value (30.8 eV) can be derived from Auger electron spectra Moddeman, Carlson, et al., 1971, but the assignments are highly tentative and can also be interpreted as indicating an ionization potential of only ~26 eV.

The 1s_N and 1s₀ ¹Π - ³Π splittings are 1.41 and 0.53 eV, respectively Davis and Shirley, 1972, Davis, Martin, et al., 1973. The 1s_N photoelectron peaks have an anomalous intensity ratio of 3.43 Bagus, Schrenk, et al., 1974; theoretical interpretation Hillier and Kendrick, 1975, Darko, Hillier, et al., 1977. Predicted 1s_N satellite ("shake-up") peaks Hillier and Kendrick, 1975.

Limit of Tanaka's β Rydberg series. Very short progression in the photoelectron spectrum Turner and May, 1966, Price, 1968, Edqvist, Lindholm, et al., 1970, Edqvist, Asbrink, et al., 1971; see 11.

Observed in the IR spectrum of hot air resulting from a high altitude nuclear detonation; the 1-0 and 2-0 bands have been identified. Theoretical intensities Billingsley, 1973.

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]

Siegbahn, Nordling, et al., 1969
Siegbahn, K.; Nordling, C.; Johansson, G.; Hedman, J.; Heden, P.F.; Hamrin, k.; Gelius, U.; Bergmark, T.; Werme, L.O.; Manne, R.; Baer, ESCA Applied to Free Molecules, North-Holland Publishing Company, Amsterdam, 1969, 0. [all data]

Davis and Shirley, 1972
Davis, D.W.; Shirley, D.A., Splitting in nitrogen and oxygen 1s photoelectron peaks in two paramagnetic molecules: spin density implications, J. Chem. Phys., 1972, 56, 669. [all data]

Baer and Miescher, 1953
Baer, P.; Miescher, E., NO-, NO⁺- und N₂⁺-Emissionsspektren im Schumanngebiet, Helv. Phys. Acta, 1953, 26, 91. [all data]

Tanaka, 1953
Tanaka, Y., On the Miescher-Baer emission bands in the far ultraviolet region, J. Chem. Phys., 1953, 21, 562. [all data]

Field, 1973
Field, R.W., The valence states of NO⁺, J. Mol. Spectrosc., 1973, 47, 194. [all data]

Alberti and Douglas, 1975
Alberti, F.; Douglas, A.E., Laboratory determination of the frequencies of possible interstellar lines of NO⁺, Can. J. Phys., 1975, 53, 1179. [all data]

Maier and Holland, 1971
Maier, W.B., II; Holland, R.F., Emission from long-lived states in ion beams. New band systems of NO⁺, J. Chem. Phys., 1971, 54, 2693. [all data]

Turner and May, 1966
Turner, D.W.; May, D.P., Franck-Condon factors in ionization: experimental measurement using molecular photoelectron spectroscopy, J. Chem. Phys., 1966, 45, 471. [all data]

Price, 1968
Price, W.C., Developments in Photo-Electron Spectroscopy in Molecular Spectroscopy, Hepple, ed(s)., The Institute of Petroleum, London, 1968, 221-236. [all data]

Samson, 1968
Samson, J.A.R., Higher ionization potentials of nitric oxide, Phys. Letters, 1968, 28A, 391. [all data]

Sjogren and Szabo, 1968
Sjogren, H.; Szabo, I., On the first excited state of NO⁺, Ark. Fys., 1968, 37, 551. [all data]

Tanaka, 1942
Tanaka, Y., The extreme ultra-violet absorption spectra of nitric oxide, Sci. Pap. Inst. Phys. Chem. Res. Jpn., 1942, 39, 456. [all data]

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

Huber, 1968
Huber, K.P., The excited electronic states of the NO⁺ ion, Can. J. Phys., 1968, 46, 1691. [all data]

Stair and Gauvin, 1967
Stair, A.T., Jr.; Gauvin, H.P., Research on optical infrared characteristics of aurora and airglow (artificial and natural) in Aurora and Airglow, McCormac, ed(s)., Reinhold, New York, 1967, 365-390. [all data]

Edqvist, Lindholm, et al., 1970
Edqvist, O.; Lindholm, E.; Selin, L.E.; Sjogren, H.; Asbrink, L., Rydberg series in small molecules. VII. Rydberg series and photoelectron spectroscopy of NO, Ark. Fys., 1970, 40, 439. [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]

Lefebvre-Brion, 1971
Lefebvre-Brion, H., Intensity anomaly in the photoelectron spectrum of NO, Chem. Phys. Lett., 1971, 9, 463. [all data]

Thulstrup and Ohrn, 1972
Thulstrup, E.W.; Ohrn, Y., Configuration interaction studies of NO and NO⁺ with comparisons to photoelectron spectra, J. Chem. Phys., 1972, 57, 3716. [all data]

Thulstrup, Thulstrup, et al., 1974
Thulstrup, P.W.; Thulstrup, E.W.; Andersen, A.; Ohrn, Y., Configuration interaction calculations of some observed states of NO^-, NO, NO⁺, and NO²⁺, J. Chem. Phys., 1974, 60, 3975. [all data]

Hertz, Jochims, et al., 1974
Hertz, H.; Jochims, H.W.; Schenk, H.; Sroka, W., The influence of the Rydberg states (2sσ^*-1)ndπ and (2sσ^*-1)np_π^σ on the formation of NO⁺, N⁺, O⁺ and N by photon impact on NO, Chem. Phys. Lett., 1974, 29, 572. [all data]

Miescher, 1955
Miescher, E., Fine structure of NO⁺ and NO emission spectra in the Schumann region, Can. J. Phys., 1955, 33, 355. [all data]

Hesser and Dressler, 1966
Hesser, J.E.; Dressler, K., Radiative lifetimes of ultraviolet molecular transitions, J. Chem. Phys., 1966, 45, 3149. [all data]

Hesser, 1968
Hesser, J.E., Absolute Transition Probabilities in Ultraviolet Molecular Spectra, J. Chem. Phys., 1968, 48, 6, 2518, https://doi.org/10.1063/1.1669477 . [all data]

Aarts and de Heer, 1971
Aarts, J.F.M.; de Heer, F.J., Emission cross sections of the A¹Π state of NO⁺, Physica (Amsterdam), 1971, 54, 609. [all data]

Mentall and Morgan, 1972
Mentall, J.E.; Morgan, H.D., Vacuum-ultraviolet excitation cross sections by electron impact on NO, J. Chem. Phys., 1972, 56, 2271. [all data]

Stone and Zipf, 1972
Stone, E.J.; Zipf, E.C., Electron-impact excitation of nitric oxide, J. Chem. Phys., 1972, 56, 2870. [all data]

Nicholls, 1968
Nicholls, R.W., Franck-Condon factors for ionizing transitions of O₂, CO, NO and H₂ and for the NO⁺(A¹-Σx¹Σ) band system, J. Phys. B:, 1968, 1, 1192. [all data]

Wentink and Spindler, 1970
Wentink, T., Jr.; Spindler, R.J., Jr., Franck-Condon Factors and r-centroids for No⁺, CP, SiF, BF, BCl, and BBr, J. Quant. Spectrosc. Radiat. Transfer, 1970, 10, 609. [all data]

Coxon, Clyne, et al., 1975
Coxon, J.A.; Clyne, M.A.A.; Setser, D.W., Penning ionization optical spectroscopy: metastable helium (He ²³S) with nitric oxide, Chem. Phys., 1975, 7, 255. [all data]

Wacks, 1964
Wacks, M.E., Franck-Condon factors for the ionization of CO, NO, and O₂, J. Chem. Phys., 1964, 41, 930. [all data]

Halmann and Laulicht, 1965
Halmann, M.; Laulicht, I., Isotope effects on vibrational transition probabilities. III. Ionization of isotopic H₂, N₂,,O₂, NO, CO, and HCl molecules, J. Chem. Phys., 1965, 43, 1503. [all data]

Spohr and Puttkamer, 1967
Spohr, R.; Puttkamer, E.v., Energiemessung von Photoelektronen und Franck-Condon-Faktoren der Schwingungsubergange einiger Molekulionen, Z. Naturforsch., 1967, 22a, 705. [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]

Jungen and Lefebvre-Brion, 1970
Jungen, Ch.; Lefebvre-Brion, H., The quadrupole moment of NO⁺, J. Mol. Spectrosc., 1970, 33, 520. [all data]

Billingsley and Krauss, 1974
Billingsley, F.P., II; Krauss, M., Quadrupole moment of CO, N₂, and NO⁺, J. Chem. Phys., 1974, 60, 2767. [all data]

Dorman and Morrison, 1961
Dorman, F.H.; Morrison, J.D., Double and triple ionization in molecules induced by electron impact, J. Chem. Phys., 1961, 35, 575. [all data]

Appell, Durup, et al., 1973
Appell, J.; Durup, J.; Fehsenfeld, F.C.; Fournier, P., Double charge transfer spectroscopy of diatomic molecules, J. Phys. B:, 1973, 6, 197. [all data]

Moddeman, Carlson, et al., 1971
Moddeman, W.E.; Carlson, T.A.; Krause, M.O.; Pullen, B.P.; Bull, W.E.; Schweitzer, G.K., Determination of the K-LL Auger spectra of N₂, O₂, CO, NO, H₂O, and CO₂, J. Chem. Phys., 1971, 55, 2317. [all data]

Davis, Martin, et al., 1973
Davis, D.W.; Martin, R.L.; Banna, M.S.; Shirley, D.A., Multiplet splitting in 1s hole status of molecules, J. Chem. Phys., 1973, 59, 4235. [all data]

Bagus, Schrenk, et al., 1974
Bagus, P.S.; Schrenk, M.; Davis, D.W.; Shirley, D.A., Anomalous multiplet-splitting intensity ratios in K-level x-ray photoemission spectra of NO and O₂, Phys. Rev. A: Gen. Phys., 1974, 9, 1090. [all data]

Hillier and Kendrick, 1975
Hillier, I.H.; Kendrick, J., Multiplet splitting and intensity ration in the N(ls) photoemission spectrum of NO, J. Chem. Soc. Faraday Trans. 2, 1975, 71, 1654. [all data]

Darko, Hillier, et al., 1977
Darko, T.; Hillier, I.H.; Kendrick, J., Correlation effects in the nitrogen 1s photoelectron spectrum of nitric oxide, Chem. Phys. Lett., 1977, 45, 188. [all data]

Billingsley, 1973
Billingsley, F.P., II, Calculation of the absolute infrared intensities for the 0-1, 0-2 and 1-2 vibration-rotation transitions in the ground state of NO⁺, Chem. Phys. Lett., 1973, 23, 160. [all data]

Notes

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Symbols used in this document:

S°_{gas,1 bar} Entropy of gas at standard conditions (1 bar)
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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