nickel monoxide

Formula: NiO
Molecular weight: 74.6928
CAS Registry Number: 1313-99-1
Information on this page:
Data at other public NIST sites:
- Gas Phase Kinetics Database
- X-ray Photoelectron Spectroscopy Database, version 5.0
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Gas phase ion energetics data

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Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to NiO⁺ (ion structure unspecified)

Electron affinity determinations

EA (eV)	Method	Reference	Comment
1.4550 ± 0.0050	LPES	Ramond, Davico, et al., 2002	B
1.4700 ± 0.0030	LPES	Moravec and Jarrold, 1998	B
1.460 ± 0.020	LPES	Wu and Wang, 1997	B

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.5 ± 0.2	END	Armentrout, Halle, et al., 1982	LBLHLM
9.5 ± 0.3	EI	Grimley, Burns, et al., 1961	RDSH

Constants of diatomic molecules

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

Data collected through April, 1975

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 ⁽⁵⁸⁾Ni¹⁶O
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
Three additional systems in the same spectral region.
↳Rosen, 1945; Malet and Rosen, 1945
b	(a + 21262)	(570) H									b → a R	(21135) H
b	↳Rosen, 1945; Malet and Rosen, 1945
a	a	(825) H
B	(16447)	(560) H									B → X R	(16420) H
B	↳Rosen, 1945; Malet and Rosen, 1945
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	(12725)	(475) H									A → X R	(12655) H
A	↳Rosen, 1945; Malet and Rosen, 1945
(X)	0	(615) H

Notes

Thermochemical value (mass spectrometry.) Grimley, Burns, et al., 1961, recalculated Smoes, Mandy, et al., 1972. See also Brewer and Mastick, 1951, Huldt and Lagerqvist, 1954.

References

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Ramond, Davico, et al., 2002
Ramond, T.M.; Davico, G.E.; Hellberg, F.; Svedberg, F.; Salen, P.; Soderqvist, P.; Lineberger, W.C., Photoelectron spectroscopy of nickel, palladium, and platinum oxide anions, J. Molec. Spectros., 2002, 216, 1, 1-14, https://doi.org/10.1006/jmsp.2002.8669 . [all data]

Moravec and Jarrold, 1998
Moravec, V.D.; Jarrold, C.C., Study of the low-lying states of NiO- and NIO using anion photoelectron spectroscopy, J. Chem. Phys., 1998, 108, 5, 1804-1810, https://doi.org/10.1063/1.475557 . [all data]

Wu and Wang, 1997
Wu, H.; Wang, L.-S., A Study of Nickel Monoxide (NiO), Nickel Dioxide (NiO2) and Ni(O2) Complex by Anion Photoelectron Spectroscopy, J. Chem. Phys., 1997, 107, 1, 16, https://doi.org/10.1063/1.474362 . [all data]

Armentrout, Halle, et al., 1982
Armentrout, P.B.; Halle, L.F.; Beauchamp, J.L., Reaction of Cr⁺, Mn⁺, Fe⁺, Co⁺, and Ni⁺ with O₂ and N₂O. Examination of the translational energy dependence of the cross sections of endothermic reactions, J. Chem. Phys., 1982, 76, 2449. [all data]

Grimley, Burns, et al., 1961
Grimley, R.T.; Burns, R.P.; Inghram, M.G., Thermodynamics of the vaporization of nickel oxide, J. Chem. Phys., 1961, 35, 551. [all data]

Rosen, 1945
Rosen, B., Spectra of diatomic oxides by the method of exploded wire, Nature (London), 1945, 156, 570. [all data]

Malet and Rosen, 1945
Malet, L.; Rosen, B., Etude spectroscopique des molecules NiO et CoO, Bull. Soc. R. Sci. Liege, 1945, 14, 382. [all data]

Smoes, Mandy, et al., 1972
Smoes, S.; Mandy, F.; Vander Auwera-Mahieu, A.; Drowart, J., Determination by the mass spectrometric Knudsen cell method of the dissociation energies of the group IB chalcogenides, Bull. Soc. Chim. Belg., 1972, 81, 45. [all data]

Brewer and Mastick, 1951
Brewer, L.; Mastick, D.F., The stability of gaseous diatomic oxides, J. Chem. Phys., 1951, 19, 834. [all data]

Huldt and Lagerqvist, 1954
Huldt, L.; Lagerqvist, A., Uber die Dissoziationsenergie des gasformigen Nickeloxydes NiO, Z. Naturforsch. A, 1954, 9, 358. [all data]

Notes

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Symbols used in this document:

EA Electron affinity
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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