Ni(CO)

Formula: CNiO
Molecular weight: 86.7035
CAS Registry Number: 33637-76-2
Information on this page:
Other data available:
- Gas phase ion energetics data
Data at other public NIST sites:
- Gas Phase Kinetics Database
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Reaction thermochemistry data

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Data compiled by: José A. Martinho Simões

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Individual Reactions

CNiO (g) = (g) + (g)

By formula: CNiO (g) = CO (g) + Ni (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	170. ± 24.	kJ/mol	FA-SIFT	Sunderlin, Wang, et al., 1992
Δ_rH°	108.	kJ/mol	N/A	McQuaid, Morris, et al., 1988	Method: Chemiluminescence spectroscopy.
Δ_rH°	121. ± 63.	kJ/mol	N/A	Stevens, Feigerle, et al., 1982	Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.

C₂NiO₂ (g) = CNiO (g) + (g)

By formula: C₂NiO₂ (g) = CNiO (g) + CO (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	197. ± 24.	kJ/mol	FA-SIFT	Sunderlin, Wang, et al., 1992
Δ_rH°	228. ± 63.	kJ/mol	N/A	Stevens, Feigerle, et al., 1982	Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.

Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

State: ?

Energy (cm^-1)	Med.	References


T_o = 11050 ± 240	gas	Stevens, Feigerle, et al., 1982

State: X

Vib. sym.	No.	Approximate type of mode	cm^-1		Med.	Method	References


	1	CO stretch	2010.69		gas	DL	Martinez and Morse, 2006
	1	CO stretch	2006.7		Ne	IR	Liang, Zhou, et al., 2000 Tremblay and Manceron, 2006
	1	CO stretch	1994.5	vs	Ar	IR	DeKock, 1971 Joly and Manceron, 1998 Zhou and Andrews, 1998 Tremblay and Manceron, 2006
Π	2	Bend	398.9	w	Ne	IR	Tremblay and Manceron, 2006
	2	Bend	409.1	w	Ar	IR	Joly and Manceron, 1998 Tremblay and Manceron, 2006
Σ⁺	3	NiC stretch	592.2	w	Ne	IR	Tremblay and Manceron, 2006
	3	NiC stretch	591.1	w	Ar	IR	Joly and Manceron, 1998 Tremblay and Manceron, 2006

Additional references: Jacox, 1998, page 167; Jacox, 2003, page 67; Yamazaki, Okabayashi, et al., 2004

Notes

Weak

Very strong

Energy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, Notes

Sunderlin, Wang, et al., 1992
Sunderlin, L.S.; Wang, D.; Squires, R.R., Metal Carbonyl Bond Strengths in Fe(CO)n- and Ni(CO)n-, J. Am. Chem. Soc., 1992, 114, 8, 2788, https://doi.org/10.1021/ja00034a004 . [all data]

McQuaid, Morris, et al., 1988
McQuaid, M.J.; Morris, K.; Gole, J.L., J. Am. Chem. Soc., 1988, 110, 5280. [all data]

Stevens, Feigerle, et al., 1982
Stevens, A.E.; Feigerle, C.S.; Lineberger, W.C., Laser Photoelectron Spectrometry of Ni(CO)_n^-, n=1-3, J. Am. Chem. Soc., 1982, 104, 19, 5026, https://doi.org/10.1021/ja00383a004 . [all data]

Compton and Stockdale, 1976
Compton, R.N.; Stockdale, J.A.D., Formation of gas phase negative ions in Fe(CO)₅ and Ni(CO)₄, Int. J. Mass Spectrom. Ion Phys., 1976, 22, 47. [all data]

Martinez and Morse, 2006
Martinez, A.; Morse, M.D., Infrared diode laser spectroscopy of jet-cooled NiCO, Ni(CO)[sub 3]([sup 13]CO), and Ni(CO)[sub 3](C[sup 18]O), J. Chem. Phys., 2006, 124, 12, 124316, https://doi.org/10.1063/1.2180249 . [all data]

Liang, Zhou, et al., 2000
Liang, B.; Zhou, M.; Andrews, L., Reactions of Laser-Ablated Ni, Pd, and Pt Atoms with Carbon Monoxide: Matrix Infrared Spectra and Density Functional Calculations on M(CO), J. Phys. Chem. A, 2000, 104, 17, 3905, https://doi.org/10.1021/jp993646q . [all data]

Tremblay and Manceron, 2006
Tremblay, B.; Manceron, L., Search for the Ar--NiCO complex: A solid neon investigation, Chem. Phys. Lett., 2006, 429, 4-6, 464, https://doi.org/10.1016/j.cplett.2006.08.053 . [all data]

DeKock, 1971
DeKock, R.L., Preparation and identification of intermediate carbonyls of nickel and tantalum by matrix isolation, Inorg. Chem., 1971, 10, 6, 1205, https://doi.org/10.1021/ic50100a022 . [all data]

Joly and Manceron, 1998
Joly, H.A.; Manceron, L., Complete vibrational spectrum of NiCO isolated in solid argon, Chem. Phys., 1998, 226, 1-2, 61, https://doi.org/10.1016/S0301-0104(97)00312-1 . [all data]

Zhou and Andrews, 1998
Zhou, M.; Andrews, L., Matrix Infrared Spectra and Density Functional Calculations of Ni(CO), J. Am. Chem. Soc., 1998, 120, 44, 11499, https://doi.org/10.1021/ja9820644 . [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Yamazaki, Okabayashi, et al., 2004
Yamazaki, E.; Okabayashi, T.; Tanimoto, M., Detection of Free Nickel Monocarbonyl, NiCO: Rotational Spectrum and Structure, J. Am. Chem. Soc., 2004, 126, 4, 1028, https://doi.org/10.1021/ja0391309 . [all data]

Notes

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Symbols used in this document:

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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