Nickel tetracarbonyl

• Formula: C₄NiO₄
• Molecular weight: 170.7338
• IUPAC Standard InChI: InChI=1S/4CO.Ni/c4*1-2; Copy

  
• IUPAC Standard InChIKey: AWDHUGLHGCVIEG-UHFFFAOYSA-N Copy
• 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
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• 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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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
• 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

Go To: Top, Mass spectrum (electron ionization), 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

Ionization energy determinations

Appearance energy determinations

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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, Mass spectrum (electron ionization), 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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