Nickel tetracarbonyl

Gas phase ion energetics data

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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 ± 0.04eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)742.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity716.0kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
~8.0PEReutt, Wang, et al., 1986LBLHLM
8.8 ± 0.2EIClements and Sale, 1976LLK
8.21 ± 0.03PEHillier, Guest, et al., 1974LLK
8.32 ± 0.01PIDistefano, 1970RDSH
8.28 ± 0.01PILloyd and Schlag, 1969RDSH
8.24 ± 0.14PELloyd and Schlag, 1969RDSH
8.75 ± 0.07EIJunk and Svec, 1968RDSH
8.35 ± 0.15EISchildcrout, Pressley, et al., 1967RDSH
8.57 ± 0.10EIBidinosti and McIntyre, 1967RDSH
8.64 ± 0.15EIWinters and Kiser, 1964RDSH
8.28 ± 0.03PIVilesov and Kurbatov, 1961RDSH
8.722 ± 0.010PEReutt, Wang, et al., 1986Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
NiC+22.1 ± 0.3?EISchildcrout, Pressley, et al., 1967RDSH
NiC+24.2 ± 0.2?EIBidinosti and McIntyre, 1967RDSH
CONi+11.80 ± 0.163COEND/DERKhan, Steele, et al., 1995LL
CONi+12.6 ± 0.23COEIClements and Sale, 1976LLK
NiCO+11.7 ± 0.13COPIDistefano, 1970RDSH
NiCO+12.843COEIJunk and Svec, 1968RDSH
NiCO+12.17 ± 0.153COEISchildcrout, Pressley, et al., 1967RDSH
NiCO+12.96 ± 0.103COEIBidinosti and McIntyre, 1967RDSH
NiCO+13.5 ± 0.23COEIWinters and Kiser, 1964RDSH
C2+40. ± 2.?EISchildcrout, Pressley, et al., 1967RDSH
NiC2+30. ± 1.?EISchildcrout, Pressley, et al., 1967RDSH
NiC2O+20.6 ± 0.3?EISchildcrout, Pressley, et al., 1967RDSH
C2O2Ni+10.05 ± 0.112COEND/DERKhan, Steele, et al., 1995LL
C2O2Ni+10.6 ± 0.22COEIClements and Sale, 1976LLK
NiC2O2+10.1 ± 0.12COPIDistefano, 1970RDSH
NiC2O2+10.632COEIJunk and Svec, 1968RDSH
NiC2O2+10.21 ± 0.152COEISchildcrout, Pressley, et al., 1967RDSH
NiC2O2+10.48 ± 0.052COEIBidinosti and McIntyre, 1967RDSH
NiC2O2+10.7 ± 0.22COEIWinters and Kiser, 1964RDSH
C2O+32. ± 1.?EISchildcrout, Pressley, et al., 1967RDSH
C2O2+21.6 ± 0.5?EISchildcrout, Pressley, et al., 1967RDSH
NiC3O2+20.1 ± 0.5?EISchildcrout, Pressley, et al., 1967RDSH
C3O3Ni+9.07 ± 0.08COEND/DERKhan, Steele, et al., 1995LL
C3O3Ni+9.5 ± 0.2COEIClements and Sale, 1976LLK
NiC3O3+8.77 ± 0.02COPIDistefano, 1970RDSH
NiC3O3+9.34COEIJunk and Svec, 1968RDSH
NiC3O3+8.89 ± 0.15COEISchildcrout, Pressley, et al., 1967RDSH
NiC3O3+9.22 ± 0.10COEIBidinosti and McIntyre, 1967RDSH
NiC3O3+9.36 ± 0.15COEIWinters and Kiser, 1964RDSH
Ni+13.63 ± 0.174COEND/DERKhan, Steele, et al., 1995LL
Ni+15.8 ± 0.24COEIClements and Sale, 1976LLK
Ni+13.8 ± 0.14COPIDistefano, 1970RDSH
Ni+15.514COEIJunk and Svec, 1968RDSH
Ni+14.45 ± 0.154COEISchildcrout, Pressley, et al., 1967RDSH
Ni+15.1 ± 0.34COEIBidinosti and McIntyre, 1967RDSH
Ni+16.0 ± 0.34COEIWinters and Kiser, 1964RDSH
NiO+26. ± 1.?EISchildcrout, Pressley, et al., 1967RDSH


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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, . [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]


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