Nickel tetracarbonyl
- Formula: C4NiO4
- Molecular weight: 170.7338
- IUPAC Standard InChI: InChI=1S/4CO.Ni/c4*1-2;
- IUPAC Standard InChIKey: AWDHUGLHGCVIEG-UHFFFAOYSA-N
- CAS Registry Number: 13463-39-3
- 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: Nickel carbonyl (Ni(CO)4); Nickel carbonyl (Ni(CO)4), (T-4)-; Nickel carbonyl; Tetracarbonyl nickel; Ni(CO)4; Nickel carbonyle; Nichel tetracarbonile; Nikkeltetracarbonyl; Nickel tetracarbonyle; Rcra waste number P073; UN 1259
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Gas phase ion energetics data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 8.27 ± 0.04 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 742.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 716.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| ~8.0 | PE | Reutt, Wang, et al., 1986 | LBLHLM |
| 8.8 ± 0.2 | EI | Clements and Sale, 1976 | LLK |
| 8.21 ± 0.03 | PE | Hillier, Guest, et al., 1974 | LLK |
| 8.32 ± 0.01 | PI | Distefano, 1970 | RDSH |
| 8.28 ± 0.01 | PI | Lloyd and Schlag, 1969 | RDSH |
| 8.24 ± 0.14 | PE | Lloyd and Schlag, 1969 | RDSH |
| 8.75 ± 0.07 | EI | Junk and Svec, 1968 | RDSH |
| 8.35 ± 0.15 | EI | Schildcrout, Pressley, et al., 1967 | RDSH |
| 8.57 ± 0.10 | EI | Bidinosti and McIntyre, 1967 | RDSH |
| 8.64 ± 0.15 | EI | Winters and Kiser, 1964 | RDSH |
| 8.28 ± 0.03 | PI | Vilesov and Kurbatov, 1961 | RDSH |
| 8.722 ± 0.010 | PE | Reutt, Wang, et al., 1986 | Vertical value; LBLHLM |
Appearance energy determinations
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Reutt, Wang, et al., 1986
Reutt, J.E.; Wang, L.S.; Lee, Y.T.; Shirley, D.A.,
Molecular beam photoelectron spectroscopy of Ni(CO)4,
Chem. Phys. Lett., 1986, 126, 399. [all data]
Clements and Sale, 1976
Clements, P.J.; Sale, F.R.,
A mass spectrometric study of nickel tetracarbonyl, iron pentacarbonyl and binary mixtures of these compounds,
Metall. Trans. B:, 1976, 7, 171. [all data]
Hillier, Guest, et al., 1974
Hillier, I.H.; Guest, M.F.; Higginson, B.R.; Lloyd, D.R.,
Ab initio calculations of transition metal complexes V. The electronic structure and He(I) photoelectron spectra of Fe(CO)2(NO)2, Co(CO)3NO and Ni(CO)4,
Mol. Phys., 1974, 27, 215. [all data]
Distefano, 1970
Distefano, G.,
Photoionization study of Fe(CO)5 and Ni(CO)4,
J. Res. NBS, 1970, 74A, 233. [all data]
Lloyd and Schlag, 1969
Lloyd, D.R.; Schlag, E.W.,
Photoionization studies of metal carbonyls. I. Ionization potentials and the bonding in group VI metal hexacarbonyls and in mononuclear carbonyls and nitrosyl carbonyls of iron, cobalt, and nickel,
Inorg. Chem., 1969, 8, 2544. [all data]
Junk and Svec, 1968
Junk, G.A.; Svec, H.J.,
Energetics of the ionization and dissociation of Ni(CO)4, Fe(CO)5, Cr(CO)6, Mo(CO)6 and W(CO)6,
Z. Naturforsch., 1968, 23b, 1. [all data]
Schildcrout, Pressley, et al., 1967
Schildcrout, S.M.; Pressley, G.A., Jr.; Stafford, F.E.,
Pyrolysis and molecular-beam mass spectrum of tetracarhonylnickel(0),
J. Am. Chem. Soc., 1967, 89, 1617. [all data]
Bidinosti and McIntyre, 1967
Bidinosti, D.R.; McIntyre, N.S.,
Electron-impact study of some binary metal carbonyls,
Can. J. Chem., 1967, 45, 641. [all data]
Winters and Kiser, 1964
Winters, R.E.; Kiser, R.W.,
A mass spectrometric investigation of nickel tetracarbonyl and iron pentacarbonyl,
Inorg. Chem., 1964, 3, 699. [all data]
Vilesov and Kurbatov, 1961
Vilesov, F.I.; Kurbatov, B.L.,
Photoionization of esters and metal carbonyis in the gaseous phase,
Dokl. Akad. Nauk SSSR, 1961, 140, 1364, In original 792. [all data]
Khan, Steele, et al., 1995
Khan, F.A.; Steele, D.L.; Armentrout, P.B.,
Ligand effects in organometallic thermochemistry: The sequential bond energies of Ni(CO)x+ and Ni(N2)x+ (x = 1-4) and Ni(NO)x+ (x = 1-3) [Data derived from reported bond energies taking value of 8.273±0.046 eV for IE[Ni(CO)4]],
J. Phys. Chem., 1995, 99, 7819. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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