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Dicarbon monoxide


Gas phase thermochemistry 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.

Quantity Value Units Method Reference Comment
Deltafgas286.60kJ/molReviewChase, 1998Data last reviewed in September, 1966
Quantity Value Units Method Reference Comment
gas,1 bar233.07J/mol*KReviewChase, 1998Data last reviewed in September, 1966

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1300.1300. - 6000.
A 34.2244560.64080
B 41.044084.317511
C -23.52973-1.109681
D 5.5372730.082437
E -0.129471-8.056669
F 274.3386252.4044
G 262.5142286.0283
H 286.6044286.6044
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1966 Data last reviewed in September, 1966

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References, Notes

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

Data evaluated by: Edward P. Hunter and Sharon G. Lias

View reactions leading to C2O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)774.7kJ/molN/AHunter and Lias, 1998 
Quantity Value Units Method Reference Comment
Gas basicity747.0kJ/molN/AHunter and Lias, 1998 

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, 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: Marilyn E. Jacox

State:   c


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 22390 ± 160 gas Choi, Mordaunt, et al., 1998


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

Sigma+ 3 CC stretch 1234 ± 140 gas PE Choi, Mordaunt, et al., 1998

State:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Td = 20000 T Ar Jacox, Milligan, et al., 1965

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 11651.182 gas A-X 500 860 Devillers, 1966
Devillers and Ramsay, 1971
Pitts, Donnelly, et al., 1981
Fujitake, Kiryu, et al., 1992
Ohashi, Kiryu, et al., 1993
Abe, Kikuchi, et al., 1994
Abe, Kawamoto, et al., 1996
Abe, Mukai, et al., 1999
Garand, Yacovitch, et al., 2008
To = 11650 ± 3 Ne Fulara, Grutter, et al., 1998
To = 11860 Ar A-X 600 850 Smith and Weltner, 1975


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

Sigma+ 1 CO stretch 2045.7 gas AB Devillers and Ramsay, 1971
1 CO stretch 2045 ± 3 Ne AB Fulara, Grutter, et al., 1998
Pi 2 Bend 594.75 gas AB DL Devillers and Ramsay, 1971
Abe, Kikuchi, et al., 1994
Ohashi and Fujitake, 2004
Sigma+ 3 CC stretch 1283.60 gas DL PE Devillers and Ramsay, 1971
Abe, Kawamoto, et al., 1996
Garand, Yacovitch, et al., 2008
3 CC stretch 1279 ± 3 Ne AB Fulara, Grutter, et al., 1998

State:   b


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 8205 ± 5 gas Zengin, Persson, et al., 1996
Choi, Mordaunt, et al., 1998
Garand, Yacovitch, et al., 2008


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

Sigma+ 1 CO stretch 1900 ± 7 gas PE Zengin, Persson, et al., 1996
Choi, Mordaunt, et al., 1998
Garand, Yacovitch, et al., 2008

State:   a


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 5276 ± 5 gas Zengin, Persson, et al., 1996
Choi, Mordaunt, et al., 1998
Garand, Yacovitch, et al., 2008


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

Sigma+ 1 CO stretch 1942.85 gas PE DL Zengin, Persson, et al., 1996
Choi, Mordaunt, et al., 1998
Moazzen-Ahmadi and Boere, 1999
Garand, Yacovitch, et al., 2008
3 CC stretch 1082.03 gas DL Abusara, Sorensen, et al., 2004

State:   X


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

Sigma+ 1 CO stretch 1970.86 gas LF DL Pitts, Donnelly, et al., 1981
Yamada, Kanamori, et al., 1986
Moazzen-Ahmadi, Sandilands, et al., 1997
Garand, Yacovitch, et al., 2008
1 CO stretch 1969 s Ar IR Jacox, Milligan, et al., 1965
DeKock and Weltner, 1971
1 CO stretch 1978 Ar IR Jacox, Milligan, et al., 1965
1 CO stretch 1987 N2 IR Jacox, Milligan, et al., 1965
Pi 2 Bend 379.53 gas AB Devillers and Ramsay, 1971
Ohashi, Kiryu, et al., 1993
Piu 2 Bend 381 m Ar IR Jacox, Milligan, et al., 1965
Sigma+ 3 CC stretch 1066.82 gas LF DL Pitts, Donnelly, et al., 1981
Abusara, Sorensen, et al., 2003
3 CC stretch 1064 w Ar IR Jacox, Milligan, et al., 1965
3 CC stretch 1074 Ar IR Jacox, Milligan, et al., 1965
3 CC stretch 1077 N2 IR Jacox, Milligan, et al., 1965

Additional references: Jacox, 1994, page 69; Jacox, 1998, page 179; Jacox, 2003, page 111; Pitts, Donnelly, et al., 1981, 2; Yamada, Saito, et al., 1985; Ohshima, Endo, et al., 1995

Notes

wWeak
mMedium
sStrong
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
dPhotodissociation threshold

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

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]

Choi, Mordaunt, et al., 1998
Choi, H.; Mordaunt, D.H.; Bise, R.T.; Taylor, T.R.; Neumark, D.M., Photodissociation of triplet and singlet states of the CCO radical, J. Chem. Phys., 1998, 108, 10, 4070, https://doi.org/10.1063/1.475839 . [all data]

Jacox, Milligan, et al., 1965
Jacox, M.E.; Milligan, D.E.; Moll, N.G.; Thompson, W.E., Matrix-Isolation Infrared Spectrum of the Free Radical CCO, J. Chem. Phys., 1965, 43, 10, 3734, https://doi.org/10.1063/1.1696543 . [all data]

Devillers, 1966
Devillers, C., Compt. Rend. Acad. Sci. (Paris), 1966, 262C, 1485. [all data]

Devillers and Ramsay, 1971
Devillers, C.; Ramsay, D.A., The Band System of the CCO Molecule, Can. J. Phys., 1971, 49, 22, 2839, https://doi.org/10.1139/p71-342 . [all data]

Pitts, Donnelly, et al., 1981
Pitts, W.M.; Donnelly, V.M.; Baronavski, A.P.; McDonald, J.R., C2O(Ã 3«PI»i<-->-~X3«SIGMA»-: laser induced excitation and fluorescence spectra, Chem. Phys., 1981, 61, 3, 451, https://doi.org/10.1016/0301-0104(81)85161-0 . [all data]

Fujitake, Kiryu, et al., 1992
Fujitake, M.; Kiryu, R.; Ohashi, N., Near-infrared diode laser spectroscopy of the CCO radical in the band, J. Mol. Spectrosc., 1992, 154, 1, 169, https://doi.org/10.1016/0022-2852(92)90037-O . [all data]

Ohashi, Kiryu, et al., 1993
Ohashi, N.; Kiryu, R.; Okino, S.; Fujitake, M., Near-Infrared Diode Laser Spectroscopy of the CCO Radical: Molecular Constants for the X3«SIGMA»-(010) State, J. Mol. Spectrosc., 1993, 157, 1, 50, https://doi.org/10.1006/jmsp.1993.1004 . [all data]

Abe, Kikuchi, et al., 1994
Abe, H.; Kikuchi, T.; Takahashi, K.; Fujitake, M.; Ohashi, N., Near-Infrared Diode Laser Spectroscopy of the CCO Radical: Analysis of the Ã(010)3«SIGMA»(+) and Ã(010)3«SIGMA»(-) States, J. Mol. Spectrosc., 1994, 167, 2, 353, https://doi.org/10.1006/jmsp.1994.1241 . [all data]

Abe, Kawamoto, et al., 1996
Abe, H.; Kawamoto, Y.; Fujitake, M.; Ohashi, N.; Momose, T.; Shida, T., Laser Spectroscopy of the CCO Radical in the 0.77-«mu»m Region: Analysis of theÃ(020)«kappa»3«PI» andÃ3«PI»i(001) States, J. Mol. Spectrosc., 1996, 180, 2, 277, https://doi.org/10.1006/jmsp.1996.0250 . [all data]

Abe, Mukai, et al., 1999
Abe, H.; Mukai, M.; Fujitaki, M.; Ohashi, N., Near-Infrared Diode--Laser Spectroscopy of the CCO Radical in theÃ(010)3«DELTA»--X(010)3«PI»(b) Band, J. Mol. Spectrosc., 1999, 195, 2, 317, https://doi.org/10.1006/jmsp.1999.7835 . [all data]

Garand, Yacovitch, et al., 2008
Garand, E.; Yacovitch, T.I.; Neumark, D.M., Slow photoelectron imaging spectroscopy of CCO- and CCS-, J. Chem. Phys., 2008, 129, 7, 074312, https://doi.org/10.1063/1.2969819 . [all data]

Fulara, Grutter, et al., 1998
Fulara, J.; Grutter, M.; Wyss, M.; Maier, J.P., A, J. Phys. Chem. A, 1998, 102, 20, 3459, https://doi.org/10.1021/jp980879t . [all data]

Smith and Weltner, 1975
Smith, G.R.; Weltner, W., Jr., ESR of the triplet molecules CCO and CNN in rare-gas matrices; isotope and matrix effects, J. Chem. Phys., 1975, 62, 12, 4592, https://doi.org/10.1063/1.430432 . [all data]

Ohashi and Fujitake, 2004
Ohashi, N.; Fujitake, M., Spectrochim. Acta, 2004, 60A, 3277. [all data]

Zengin, Persson, et al., 1996
Zengin, V.; Persson, B.J.; Strong, K.M.; Continetti, R.E., Study of the Low-lying Electronic States of CCO by Photoelectron Spectroscopy of CCO- and ab initio calculations., J. Chem. Phys., 1996, 105, 22, 9740, https://doi.org/10.1063/1.473000 . [all data]

Moazzen-Ahmadi and Boere, 1999
Moazzen-Ahmadi, N.; Boere, R.T., Infrared laser spectroscopy of CCO: The «nu»[sub 1] band of the a[sup 1]«DELTA» electronic state, J. Chem. Phys., 1999, 110, 2, 955, https://doi.org/10.1063/1.478140 . [all data]

Abusara, Sorensen, et al., 2004
Abusara, Z.; Sorensen, T.S.; Moazzen-Ahmadi, N., Infrared laser spectroscopy of CCO: the «nu»3 band of the electronic state and 3«nu»3--2«nu»3 band of the ground electronic state, Chem. Phys. Lett., 2004, 388, 1-3, 62, https://doi.org/10.1016/j.cplett.2004.03.010 . [all data]

Yamada, Kanamori, et al., 1986
Yamada, C.; Kanamori, H.; Horiguchi, H.; Tsuchiya, S.; Hirota, E., Infrared diode laser kinetic spectroscopy of the CCO radical in the X 3«SIGMA»- state generated by the excimer laser photolysis of carbon suboxide, J. Chem. Phys., 1986, 84, 5, 2573, https://doi.org/10.1063/1.450835 . [all data]

Moazzen-Ahmadi, Sandilands, et al., 1997
Moazzen-Ahmadi, N.; Sandilands, D.W.D.; Boere, R.T., Infrared diode laser spectroscopy of the «nu»1 fundamental and the «nu»1 + «nu»2 - «nu»2 sequence bands of the CCO radical, Chem. Phys. Lett., 1997, 265, 6, 563, https://doi.org/10.1016/S0009-2614(96)01451-0 . [all data]

DeKock and Weltner, 1971
DeKock, R.L.; Weltner, W., Jr., C2O, CN2, and C3O molecules, J. Am. Chem. Soc., 1971, 93, 25, 7106, https://doi.org/10.1021/ja00754a081 . [all data]

Abusara, Sorensen, et al., 2003
Abusara, Z.; Sorensen, T.S.; Moazzen-Ahmadi, N., Infrared laser spectroscopy of CCO radical in the region of the C--C stretching fundamental, J. Chem. Phys., 2003, 119, 18, 9491, https://doi.org/10.1063/1.1615752 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [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]

Pitts, Donnelly, et al., 1981, 2
Pitts, W.M.; Donnelly, V.M.; Baronavski, A.P.; McDonald, J.R., Excited state dynamics of C2O( 3«PI»i), Chem. Phys., 1981, 61, 3, 465, https://doi.org/10.1016/0301-0104(81)85162-2 . [all data]

Yamada, Saito, et al., 1985
Yamada, C.; Saito, S.; Kanamori, H.; Hirota, E., Millimeter-wave spectrum of the CCO radical, Astrophys. J., 1985, 290, L65, https://doi.org/10.1086/184444 . [all data]

Ohshima, Endo, et al., 1995
Ohshima, Y.; Endo, Y.; Ogata, T., Fourier-transform microwave spectroscopy of triplet carbon monoxides, C2O, C4O, C6O, and C8O, J. Chem. Phys., 1995, 102, 4, 1493, https://doi.org/10.1063/1.468881 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References