Carbon monoxide

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Henry's Law data, Constants of diatomic molecules, References, Notes

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
Δfgas-110.53 ± 0.17kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas-110.53kJ/molReviewChase, 1998Data last reviewed in September, 1965
Quantity Value Units Method Reference Comment
gas,1 bar197.660 ± 0.004J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar197.66J/mol*KReviewChase, 1998Data last reviewed in September, 1965

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. to 1300.1300. to 6000.
A 25.5675935.15070
B 6.0961301.300095
C 4.054656-0.205921
D -2.6713010.013550
E 0.131021-3.282780
F -118.0089-127.8375
G 227.3665231.7120
H -110.5271-110.5271
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1965 Data last reviewed in September, 1965

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Henry's Law data, Constants of diatomic molecules, References, Notes

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

Data compiled as indicated in comments:
MS - José A. Martinho Simões
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Reactions 1 to 50

Manganese, tricarbonyl(η5-2,4-cyclopentadien-1-yl)- (solution) + Heptane (solution) = C14H21MnO2 (solution) + Carbon monoxide (solution)

By formula: C8H5MnO3 (solution) + C7H16 (solution) = C14H21MnO2 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr196. ± 7.kJ/molAVGN/AAverage of 18 values; Individual data points

Chromium hexacarbonyl (solution) + Heptane (solution) = C12H16CrO5 (solution) + Carbon monoxide (solution)

By formula: C6CrO6 (solution) + C7H16 (solution) = C12H16CrO5 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr113. ± 3.kJ/molAVGN/AAverage of 13 values; Individual data points

Chromium hexacarbonyl (solution) = C5CrO5 (solution) + Carbon monoxide (solution)

By formula: C6CrO6 (solution) = C5CrO5 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr168.2 ± 2.5kJ/molKinSGraham and Angelici, 1967solvent: Decalin; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Cr(CO)6(solution) with PBu3(solution).; MS
Δr159.4kJ/molKinSWerner and Prinz, 1966solvent: n-Decane+cyclohexane mixture; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reactions of Cr(CO)6(solution) with a phosphine and an amine. The results were quoted from Graham and Angelici, 1967.; MS

Molybdenum hexacarbonyl (solution) = C5MoO5 (solution) + Carbon monoxide (solution)

By formula: C6MoO6 (solution) = C5MoO5 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr132.6 ± 5.9kJ/molKinSGraham and Angelici, 1967solvent: Decalin; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Mo(CO)6(solution) with PBu3(solution).; MS
Δr126.4kJ/molKinSWerner and Prinz, 1966solvent: n-Decane+cyclohexane mixture; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reactions of Mo(CO)6(solution) with a phosphine and an amine. The results were quoted from Graham and Angelici, 1967.; MS

Tungsten hexacarbonyl (solution) = C5O5W (solution) + Carbon monoxide (solution)

By formula: C6O6W (solution) = C5O5W (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr166.9 ± 6.7kJ/molKinSGraham and Angelici, 1967solvent: Decalin; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of W(CO)6(solution) with PBu3(solution).; MS
Δr163.2kJ/molKinSWerner and Prinz, 1966solvent: n-Decane+cyclohexane mixture; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reactions of W(CO)6(solution) with a phosphine and an amine. The results were quoted from Graham and Angelici, 1967.; MS

C11H2O11Os (solution) + Carbon monoxide (solution) = Hydrogen (g) + Osmium, dodecacarbonyltri-, triangulo (solution)

By formula: C11H2O11Os (solution) + CO (solution) = H2 (g) + C12O12Os3 (solution)

Quantity Value Units Method Reference Comment
Δr-37.7 ± 9.6kJ/molES/KSPoë, Sampson, et al., 1993solvent: Decalin; Calculated from equilibrium and kinetic data Poë, Sampson, et al., 1993.; MS
Δr-77.4 ± 9.7kJ/molN/APoë, Sampson, et al., 1993solvent: Decalin; Calculated from data for the reactions Os3(CO)10(H)2(solution) + CO(solution) = Os3(CO)11(H)2(solution) (hrxn [kJ/mol]=-39.7±1.3, srxn [J/(mol K)]=-80.3±3.8) and Os3(CO)11(H)2(solution) + CO(solution) = Os3(CO)12(solution) + H2(g) (hrxn [kJ/mol]=-37.7±9.6, srxn [J/(mol K)]=-32.6±27.6) Poë, Sampson, et al., 1993.; MS

Iron pentacarbonyl (g) = C4FeO4 (g) + Carbon monoxide (g)

By formula: C5FeO5 (g) = C4FeO4 (g) + CO (g)

Quantity Value Units Method Reference Comment
Δr174. ± 13.kJ/molLPHPLewis, Golden, et al., 1984Please also see Smith and Laine, 1981. Temperature range: 670-780 K. The reaction enthalpy at 298 K relies on an activation energy of 167.4 kJ/mol and assumes a negligible activation barrier for product recombination. The enthalpy of formation relies on -723.9 ± 6.7 kJ/mol for the enthalpy of formation of Fe(CO)5(g). At least two other estimates of the activation energy for the Fe(CO)4(g) + CO(g) recombination have been reported: 7.1 kJ/mol Miller and Grant, 1985 and 16.7 kJ/mol Walsh, 1986. In Lewis, Golden, et al., 1984 authors have considered that the Fe(CO)4(g) fragment is in its singlet excited state. However, it has also been suggested that the fragment is formed in its triplet ground state Ray, Brandow, et al., 1988 Sunderlin, Wang, et al., 1992; MS
Δr232. ± 48.kJ/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

Molybdenum hexacarbonyl (g) = C5MoO5 (g) + Carbon monoxide (g)

By formula: C6MoO6 (g) = C5MoO5 (g) + CO (g)

Quantity Value Units Method Reference Comment
Δr146. ± 21.kJ/molKinGGanske and Rosenfeld, 1990MS
Δr170. ± 13.kJ/molLPHPLewis, Golden, et al., 1984The reaction enthalpy at 298 K relies on an activation energy of 163.2 kJ/mol and assumes a negligible activation barrier for product recombination. The enthalpy of formation relies on -915.3 ± 2.1 kJ/mol for the enthalpy of formation of Mo(CO)6(g); MS
Δr126.4kJ/molKinGCetini and Gambino, 1963Please also see Graham and Angelici, 1967. The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Mo(CO)6(g) with CO(g) Cetini and Gambino, 1963. The results were quoted from Graham and Angelici, 1967.; MS

Tungsten hexacarbonyl (g) = C5O5W (g) + Carbon monoxide (g)

By formula: C6O6W (g) = C5O5W (g) + CO (g)

Quantity Value Units Method Reference Comment
Δr193. ± 13.kJ/molLPHPLewis, Golden, et al., 1984The reaction enthalpy at 298 K relies on an activation energy of 186.2 kJ/mol and assumes a negligible activation barrier for product recombination. The enthalpy of formation relies on -883.9 ± 2.7 kJ/mol for the enthalpy of formation of W(CO)6(g); MS
Δr166.5kJ/molKinGCetini and Gambino, 1963, 2Please also see Graham and Angelici, 1967. The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of W(CO)6(g) with CO(g) Cetini and Gambino, 1963, 2. The results were quoted from Graham and Angelici, 1967.; MS

Chromium hexacarbonyl (g) = C5CrO5 (g) + Carbon monoxide (g)

By formula: C6CrO6 (g) = C5CrO5 (g) + CO (g)

Quantity Value Units Method Reference Comment
Δr155. ± 21.kJ/molKinGFletcher and Rosenfeld, 1988MS
Δr154. ± 13.kJ/molLPHPLewis, Golden, et al., 1984Temperature range: 740-820 K. The reaction enthalpy at 298 K relies on an activation energy of 147.7 kJ/mol and assumes a negligible activation barrier for product recombination.; MS
Δr161.9kJ/molKinGPajaro, Calderazzo, et al., 1960Please also see Graham and Angelici, 1967. The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Cr(CO)6(g) with CO(g) Pajaro, Calderazzo, et al., 1960. The results were quoted from Graham and Angelici, 1967.; MS

C10H5CrNO5 (solution) + Carbon monoxide (solution) = Chromium hexacarbonyl (solution) + 1,3-Diazine (solution)

By formula: C10H5CrNO5 (solution) + CO (solution) = C6CrO6 (solution) + C4H4N2 (solution)

Quantity Value Units Method Reference Comment
Δr-61.9kJ/molKinSWovkulich and Atwood, 1980solvent: Hexane; The data rely on the enthalpy and entropy of activation for the forward reaction, 106.3 ± 4.6 kJ/mol and 13.0±14.6 J/(mol K) Dennenberg and Darensbourg, 1972, and also on the enthalpy and entropy of activation for the Cr-CO dissociation in Cr(CO)6, 168.2 ± 2.5 kJ/mol and 94.6±6.3 J/(mol K) Graham and Angelici, 1967. The latter data were obtained in decalin; MS

CO+ + Carbon monoxide = (CO+ • Carbon monoxide)

By formula: CO+ + CO = (CO+ • CO)

Quantity Value Units Method Reference Comment
Δr67.kJ/molPIPECONorwood, Guo, et al., 1988gas phase; CO+ in state B, ΔrH>; M
Δr93.7kJ/molPILinn, Ono, et al., 1981gas phase; M
Δr120. ± 30.kJ/molEIMunson and Franlin, 1962gas phase; from IP'switching reaction and heats of formation; M
Δr106.kJ/molPHPMSMeot-Ner (Mautner) and Field, 1974gas phase; ΔrH>, DG>; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KPHPMSMeot-Ner (Mautner) and Field, 1974gas phase; ΔrH>, DG>; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
21.340.HPMSChong and Franklin, 1971gas phase; equilibrium uncertain; M
48.1695.PHPMSMeot-Ner (Mautner) and Field, 1974gas phase; ΔrH>, DG>; M

Tungsten hexacarbonyl (cr) = 6Carbon monoxide (g) + tungsten (cr)

By formula: C6O6W (cr) = 6CO (g) + W (cr)

Quantity Value Units Method Reference Comment
Δr298.8 ± 4.7kJ/molTD-HFC, HAL-HFCAl-Takhin, Connor, et al., 1984The reaction enthalpy corresponds to the TD experiments and leads to -962.0 ± 4.8 kJ/mol for the enthalpy of formation. The value -960±3 was recommended by the authors Al-Takhin, Connor, et al., 1984. Other values for the enthalpy of sublimation have been reported: 73. ± 1. kJ/mol Adedeji, Brown, et al., 1975, 74.1 ± 4.2 kJ/mol Hieber and Romberg, 1935, 69.9 ± 4.2 kJ/mol Rezukhina and Shvyrev, 1952, and 78.9 ± 1.1 kJ/mol Daamen, Ernsting, et al., 1979 Boxhoorn, Ernsting, et al., 1980. See also Pilcher, Ware, et al., 1975; MS
Δr296.1 ± 1.8kJ/molTD-HZCBarnes, Pilcher, et al., 1974Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS

Tri-ruthenium dodecacarbonyl (solution) + 3Carbon monoxide (solution) = 3C5O5Ru (solution)

By formula: C12O12Ru3 (solution) + 3CO (solution) = 3C5O5Ru (solution)

Quantity Value Units Method Reference Comment
Δr-13.0 ± 1.1kJ/molEqSKoelliker and Bor, 1991solvent: Isooctane; Temperature range: 373-448 K; MS
Δr-27.1 ± 1.9kJ/molEqSBor, 1986solvent: n-Hexane; Temperature range: ca. 348-448 K; MS

Dicobalt octacarbonyl (solution) = C7Co2O7 (solution) + Carbon monoxide (solution)

By formula: C8Co2O8 (solution) = C7Co2O7 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr92.7kJ/molKinSUngváry and Markó, 1974solvent: Heptane; Temperature range: 298-328 K; MS
Δr87.9kJ/molKinSUngváry, 1972solvent: Heptane; Temperature range: 307-337 K; MS

Tungsten hexacarbonyl (cr) + 1,3-Diazine (l) = C10H5NO5W (cr) + Carbon monoxide (g)

By formula: C6O6W (cr) + C4H4N2 (l) = C10H5NO5W (cr) + CO (g)

Quantity Value Units Method Reference Comment
Δr34.6kJ/molN/ANakashima and Adamson, 1982The reaction enthalpy was calculated from the enthalpy of the reaction W(CO)6(solution) + py(solution) = W(CO)5(py)(solution) + CO(solution) in cyclohexane, 27.4 ± 2.9 kJ/mol, together with the enthalpies of solution of W(CO)6(cr), W(CO)5(py)(cr), and py(l), 35.7, 36.4, and 7.9 kJ/mol, respectively Nakashima and Adamson, 1982.; MS

Formyl cation + Carbon monoxide = (Formyl cation • Carbon monoxide)

By formula: CHO+ + CO = (CHO+ • CO)

Quantity Value Units Method Reference Comment
Δr45.2kJ/molPHPMSJennings, Headley, et al., 1982gas phase; M
Δr53.6kJ/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Δr49.0kJ/molPHPMSMeot-Ner (Mautner) and Field, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr94.1J/mol*KPHPMSJennings, Headley, et al., 1982gas phase; M
Δr100.J/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Δr87.4J/mol*KPHPMSMeot-Ner (Mautner) and Field, 1974gas phase; M

Cobalt ion (1+) + Carbon monoxide = (Cobalt ion (1+) • Carbon monoxide)

By formula: Co+ + CO = (Co+ • CO)

Quantity Value Units Method Reference Comment
Δr174. ± 7.1kJ/molCIDTRodgers and Armentrout, 2000RCD
Δr160. ± 10.kJ/molMKERCarpenter, van Koppen, et al., 1995gas phase; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
174. (+6.7,-0.) CIDGoebel, Haynes, et al., 1995gas phase; guided ion beam CID; M
163. (+20.,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Molybdenum hexacarbonyl (solution) + Heptane (solution) = C12H16MoO5 (solution) + Carbon monoxide (solution)

By formula: C6MoO6 (solution) + C7H16 (solution) = C12H16MoO5 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr135. ± 12.kJ/molPACJohnson, Popov, et al., 1991solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation.; MS
Δr133.1 ± 5.4kJ/molPACMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation; MS

C2FeO2 (g) = Carbon monoxide (g) + CFeO (g)

By formula: C2FeO2 (g) = CO (g) + CFeO (g)

Quantity Value Units Method Reference Comment
Δr154. ± 15.kJ/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr>113.kJ/molN/AVenkataraman, Bandukwalla, et al., 1989Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δr100. ± 29.kJ/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

Nickel tetracarbonyl (g) = 4Carbon monoxide (g) + nickel (cr)

By formula: C4NiO4 (g) = 4CO (g) + Ni (cr)

Quantity Value Units Method Reference Comment
Δr160.4 ± 2.5kJ/molEqGMonteil, Raffin, et al., 1988The reaction enthalpy is the average of several 2nd and 3rd law results Monteil, Raffin, et al., 1988; MS

Nickel ion (1+) + Carbon monoxide = (Nickel ion (1+) • Carbon monoxide)

By formula: Ni+ + CO = (Ni+ • CO)

Quantity Value Units Method Reference Comment
Δr160. ± 10.kJ/molMKERCarpenter, van Koppen, et al., 1995gas phase; determined from MKER and theory; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
174. (+10.,-0.) CIDKhan, Steele, et al., 1995gas phase; guided ion beam CID; M
178. (+9.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

C3FeO3 (g) = Carbon monoxide (g) + C2FeO2 (g)

By formula: C3FeO3 (g) = CO (g) + C2FeO2 (g)

Quantity Value Units Method Reference Comment
Δr122. ± 24.kJ/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr105.kJ/molN/AVenkataraman, Bandukwalla, et al., 1989Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δr137. ± 29.kJ/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

CFeO (g) = Carbon monoxide (g) + iron (g)

By formula: CFeO (g) = CO (g) + Fe (g)

Quantity Value Units Method Reference Comment
Δr35. ± 15.kJ/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr<163.kJ/molN/AVenkataraman, Bandukwalla, et al., 1989Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δr87. ± 29.kJ/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

C4FeO4 (g) = C3FeO3 (g) + Carbon monoxide (g)

By formula: C4FeO4 (g) = C3FeO3 (g) + CO (g)

Quantity Value Units Method Reference Comment
Δr117. ± 36.kJ/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr42.kJ/molN/AVenkataraman, Bandukwalla, et al., 1989Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δr19. ± 39.kJ/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

Nickel tetracarbonyl (solution) = C3NiO3 (solution) + Carbon monoxide (solution)

By formula: C4NiO4 (solution) = C3NiO3 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr94.6kJ/molKinSTurner, Simpson, et al., 1983solvent: Liquid krypton; The reaction enthalpy relies on the experimental value for the activation enthalpy, 94.6 kJ/mol, and on the assumption that the activation enthalpy for product recombination is negligible Turner, Simpson, et al., 1983.; MS

(CAS Reg. No. 71564-27-7 • 4294967295Carbon monoxide) + Carbon monoxide = CAS Reg. No. 71564-27-7

By formula: (CAS Reg. No. 71564-27-7 • 4294967295CO) + CO = CAS Reg. No. 71564-27-7

Quantity Value Units Method Reference Comment
Δr145. ± 40.kJ/molN/ANakajima, Taguwa, et al., 1994gas phase; Vertical Detachment Energy: 3.02±0.13 eV; B
Δr150. ± 50.kJ/molN/AEngelking and Lineberger, 1979gas phase; B
Δr174. ± 10.kJ/molCIDTSunderlin, Wang, et al., 1992gas phase; Affinity: CO..Fe(CO)3-; B

2-Cyclopropen-1-one, 2,3-diphenyl- = Diphenylacetylene + Carbon monoxide

By formula: C15H10O = C14H10 + CO

Quantity Value Units Method Reference Comment
Δr-28. ± 5.0kJ/molCphaHung and Grabowski, 1992liquid phase; solvent: Alkane; ALS
Δr18. ± 10.kJ/molCphaHerman and Goodman, 1989solid phase; solvent: Acetonitrile/water; ALS
Δr-41. ± 12.kJ/molCphaGrabowski, Simon, et al., 1984liquid phase; solvent: Benzene; ALS

(Formyl cation • 2Carbon monoxide) + Carbon monoxide = (Formyl cation • 3Carbon monoxide)

By formula: (CHO+ • 2CO) + CO = (CHO+ • 3CO)

Quantity Value Units Method Reference Comment
Δr19. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr26.kJ/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr66.1J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr110.J/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

(Formyl cation • 3Carbon monoxide) + Carbon monoxide = (Formyl cation • 4Carbon monoxide)

By formula: (CHO+ • 3CO) + CO = (CHO+ • 4CO)

Quantity Value Units Method Reference Comment
Δr19. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr26.kJ/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr76.1J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr120.J/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

(Formyl cation • 4Carbon monoxide) + Carbon monoxide = (Formyl cation • 5Carbon monoxide)

By formula: (CHO+ • 4CO) + CO = (CHO+ • 5CO)

Quantity Value Units Method Reference Comment
Δr18. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr24.kJ/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr95.8J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr130.J/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

(Formyl cation • Carbon monoxide) + Carbon monoxide = (Formyl cation • 2Carbon monoxide)

By formula: (CHO+ • CO) + CO = (CHO+ • 2CO)

Quantity Value Units Method Reference Comment
Δr20. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr28.kJ/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr62.8J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr100.J/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

CNiO (g) = Carbon monoxide (g) + nickel (g)

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

Quantity Value Units Method Reference Comment
Δr170. ± 24.kJ/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr108.kJ/molN/AMcQuaid, Morris, et al., 1988Method: Chemiluminescence spectroscopy.; MS
Δr121. ± 63.kJ/molN/AStevens, Feigerle, et al., 1982Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

(Cobalt ion (1+) • Carbon monoxide) + Carbon monoxide = (Cobalt ion (1+) • 2Carbon monoxide)

By formula: (Co+ • CO) + CO = (Co+ • 2CO)

Quantity Value Units Method Reference Comment
Δr153. ± 9.2kJ/molCIDTRodgers and Armentrout, 2000RCD

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
152. (+8.8,-0.) CIDGoebel, Haynes, et al., 1995gas phase; guided ion beam CID; M
138. (+20.,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Iron ion (1+) + Carbon monoxide = (Iron ion (1+) • Carbon monoxide)

By formula: Fe+ + CO = (Fe+ • CO)

Quantity Value Units Method Reference Comment
Δr129. ± 4.2kJ/molCIDTRodgers and Armentrout, 2000RCD
Δr130. ± 10.kJ/molMKERCarpenter, van Koppen, et al., 1995gas phase; determined from MKER and theory; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
131. (+7.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Manganese, pentacarbonylmethyl- (solution) + Carbon monoxide (solution) = Manganese, acetylpentacarbonyl-, (OC-6-21)- (solution)

By formula: C6H3MnO5 (solution) + CO (solution) = C7H3MnO6 (solution)

Quantity Value Units Method Reference Comment
Δr-56.1 ± 4.2kJ/molRSCNolan, López de la Vega, et al., 1986solvent: Tetrahydrofuran; MS
Δr-52.7kJ/molEqSCalderazzo, 1977solvent: 2,2'-diethoxydiethyl ether; MS

Cobalt, tetracarbonylhydro- (g) = 0.5Hydrogen (g) + 4Carbon monoxide (g) + cobalt (cr)

By formula: C4HCoO4 (g) = 0.5H2 (g) + 4CO (g) + Co (cr)

Quantity Value Units Method Reference Comment
Δr127.1 ± 2.1kJ/molEqGBronshstein, Gankin, et al., 1966Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970. Temperature range: ca. 423-533 K; MS

(Sodium ion (1+) • Carbon monoxide) + Carbon monoxide = (Sodium ion (1+) • 2Carbon monoxide)

By formula: (Na+ • CO) + CO = (Na+ • 2CO)

Quantity Value Units Method Reference Comment
Δr24. ± 3.kJ/molCIDTRodgers and Armentrout, 2000RCD
Δr24. ± 3.kJ/molCIDTWalter, Sievers, et al., 1998RCD
Δr31.kJ/molHPMSCastleman, Peterson, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr63.2J/mol*KHPMSCastleman, Peterson, et al., 1983gas phase; M

Tungsten hexacarbonyl (solution) + 1,3-Diazine (solution) = C10H5NO5W (solution) + Carbon monoxide (solution)

By formula: C6O6W (solution) + C4H4N2 (solution) = C10H5NO5W (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr27.4 ± 2.9kJ/molPCNakashima and Adamson, 1982solvent: Cyclohexane; MS
Δr24.9 ± 2.9kJ/molPCNakashima and Adamson, 1982solvent: Benzene; MS
Δr18.4 ± 0.4kJ/molPCNakashima and Adamson, 1982solvent: Tetrahydrofuran; MS

Sodium ion (1+) + Carbon monoxide = (Sodium ion (1+) • Carbon monoxide)

By formula: Na+ + CO = (Na+ • CO)

Quantity Value Units Method Reference Comment
Δr32. ± 7.9kJ/molCIDTRodgers and Armentrout, 2000RCD
Δr32. ± 7.9kJ/molCIDTWalter, Sievers, et al., 1998RCD
Δr52.7kJ/molHPMSCastleman, Peterson, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr85.4J/mol*KHPMSCastleman, Peterson, et al., 1983gas phase; M

Nickel tetracarbonyl (g) = C3NiO3 (g) + Carbon monoxide (g)

By formula: C4NiO4 (g) = C3NiO3 (g) + CO (g)

Quantity Value Units Method Reference Comment
Δr104. ± 8.kJ/molN/AStevens, Feigerle, et al., 1982Please also see Compton and Stockdale, 1976. The enthalpy of formation relies on -602.5 ± 2.6 kJ/mol for the enthalpy of formation of Ni(CO)4(g) Method: LPS and collision with low energy electrons.; MS

(CO+ • 2Carbon monoxide) + Carbon monoxide = (CO+ • 3Carbon monoxide)

By formula: (CO+ • 2CO) + CO = (CO+ • 3CO)

Quantity Value Units Method Reference Comment
Δr30.2kJ/molPHPMSHiraoka and Mori, 1991gas phase; two isomers, at low and high temperatures; M
Quantity Value Units Method Reference Comment
Δr103.J/mol*KPHPMSHiraoka and Mori, 1991gas phase; two isomers, at low and high temperatures; M

(CO+ • 5Carbon monoxide) + Carbon monoxide = (CO+ • 6Carbon monoxide)

By formula: (CO+ • 5CO) + CO = (CO+ • 6CO)

Quantity Value Units Method Reference Comment
Δr11.3kJ/molPHPMSHiraoka and Mori, 1991gas phase; two isomers, at low and high temperatures; M
Quantity Value Units Method Reference Comment
Δr79.9J/mol*KPHPMSHiraoka and Mori, 1991gas phase; two isomers, at low and high temperatures; M

C34H52OTh (solution) + Carbon monoxide (solution) = C35H52O2Th (solution)

By formula: C34H52OTh (solution) + CO (solution) = C35H52O2Th (solution)

Quantity Value Units Method Reference Comment
Δr-24.7 ± 6.3kJ/molEqSMoloy and Marks, 1984solvent: Toluene; Temperature range: ca. 180-200 K; MS

C29H50OTh (solution) + Carbon monoxide (solution) = C30H50O2Th (solution)

By formula: C29H50OTh (solution) + CO (solution) = C30H50O2Th (solution)

Quantity Value Units Method Reference Comment
Δr-18.8 ± 3.8kJ/molEqSMoloy and Marks, 1984solvent: Toluene; Temperature range: ca. 180-220 K; MS

Molybdenum hexacarbonyl (cr) = 6Carbon monoxide (g) + molybdenum (cr)

By formula: C6MoO6 (cr) = 6CO (g) + Mo (cr)

Quantity Value Units Method Reference Comment
Δr325.9 ± 1.5kJ/molTD-HZCBarnes, Pilcher, et al., 1974, 2Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS
Δr297.1 ± 4.2kJ/molTD-HFCConnor, Skinner, et al., 1972Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS

(Formyl cation • 14Carbon monoxide) + Carbon monoxide = (Formyl cation • 15Carbon monoxide)

By formula: (CHO+ • 14CO) + CO = (CHO+ • 15CO)

Quantity Value Units Method Reference Comment
Δr7.36kJ/molPHPMSHiraoka and Mori, 1989gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KN/AHiraoka and Mori, 1989gas phase; Entropy change calculated or estimated; M

bis(η(5)-Cyclopentadienyl) chromium (solution) + Carbon monoxide (solution) = C11H10CrO (solution)

By formula: C10H10Cr (solution) + CO (solution) = C11H10CrO (solution)

Quantity Value Units Method Reference Comment
Δr-78.7 ± 2.1kJ/molEqSWong and Brintzinger, 1975solvent: Toluene; Temperature range: 280-308 K; MS

Chromium hexacarbonyl (cr) = 6Carbon monoxide (g) + chromium (cr)

By formula: C6CrO6 (cr) = 6CO (g) + Cr (cr)

Quantity Value Units Method Reference Comment
Δr266. ± 4.kJ/molTD-HFCAl-Takhin, Connor, et al., 1984, 2MS
Δr314.9 ± 0.9kJ/molTD-HZCPittam, Pilcher, et al., 1975Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS
Δr269.4 ± 4.7kJ/molTD-HFCConnor, Skinner, et al., 1972MS

2Dicobalt octacarbonyl (solution) = C12Co4O12 (solution) + 4Carbon monoxide (solution)

By formula: 2C8Co2O8 (solution) = C12Co4O12 (solution) + 4CO (solution)

Quantity Value Units Method Reference Comment
Δr123.4 ± 2.1kJ/molEqSBor and Dietler, 1980solvent: Hexane; Temperature range: 378-418 K; MS

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Constants of diatomic molecules, 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.000991300.LN/A 
0.000951600.QN/AOnly the tabulated data between T = 273. K and T = 303. K from missing citation was used to derive kH and -Δ kH/R. Above T = 303. K the tabulated data could not be parameterized by equation (reference missing) very well. The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by missing citation. The quantities A and α from missing citation were assumed to be identical.
0.00086 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.000951300.LN/A 
0.00082 cN/A 
0.0074 MN/A 

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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: Klaus P. Huber and Gerhard H. Herzberg

Data collected through October, 1976

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for 12C16O
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
Absorption in the 100 -20 Å region. K absorption of C and O. 1
Nakamura, Morioka, et al., 1971
Absorption cross sections from 650 - 180 Å.
Lee, Carlson, et al., 1973; Watson, Stewart, et al., 1975; Wight, van der Wiel, et al., 1976
Several weak and fragmentary progressions in the region 620 - 530 Å (161000 - 186000 cm-1), probably corresponding to excitation of two electrons and tentatively assigned as first members of Rydberg series converging to higher electronic states of CO+ derived from the photoelectron spectrum [revised assignments Asbrink, Fridh, et al., 1974]. 2
Codling and Potts, 1974
Rydberg series converging to B 2Σ+ (v=0) of CO+ (also series or fragments if series with v'=1, 2)3:
(ndσ,π) 4Ogawa and Ogawa's series IV (joining on to R)
ν = 158664 - R/(n-0.19)2; n = 3,4,...,10.
missing citation
(npσ,π) 5Tanaka's diffuse series (joining on to D2, D3)
ν = 158664 - R/(n-0.55)2; n = 4,5,...,9.
missing citation; missing citation
Ogawa and Ogawa's series V (joining on to U)
ν = 158664 - R/(n-0.61)2; n = 5,6,7.
missing citation
Tanaka's sharp series (joining on to S1, S2)
ν = 158664 - R/(n-0.650-0.084/n-0.13/n2)2; n = 3,4,...,13.
missing citation; missing citation
(nsσ) 7Ogawa and Ogawa's series III (joining on to T6)
(npσ)ν = 158664 - R/(n-0.902-0.232/n)2; n = 4,5,...,18.
missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
D3 (153271) (1705) (18.5)        D3 ← X 8 153037
missing citation; missing citation
U (153199) [1676]         U ← X 152955
missing citation
D2 (149294) (1730) (30)        D2 ← X 8 149070
missing citation; missing citation
S2 (148929) (1750) (30)        S2 ← X 148715
missing citation; missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
T (147065) (1658) (11)  9      T ← X 146810
missing citation
R (144939) (1735) (28)  9      R ← X 144718
missing citation
S1 (138038) (1771) (29)  9      S1 ← X 137835
missing citation
Rydberg series10 converging to A 2Π(v=0) of CO+ [also series with v'=1...8 (Ogawa a. Ogawa) and v'=1,2,3 (Tanaka)]3
(nsσ)Ogawa and Ogawa's series 11 (joining on to W [n=3, see Ogawa and Ogawa, 1974] and O1, O2)
ν = 133484(A 2Π1/2) - R/(n-1.077)2; n = 4,5,...,12.
missing citation
(npσ,π)Tanaka's alpha series (joining on to P)
ν = 133380(A 2Π3/2) - R/(n-0.67)2; n = 4,5,...,8.
missing citation; missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
Q 129043 1558 10.6  9      Q ← X 10 R 128738
Tanaka, 1942
O2 (1Π) 126729 1560 13.3        O2 ← X R 126424
missing citation; missing citation
P 123656 [1521]         P ← X R 123335
missing citation; missing citation
O1 (1Π) 121137 1570 13.4  9      O1 ← X R 120837
Henning, 1932; missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
N (119882) (1600)         N ← X 10 (119600)
Henning, 1932
Rydberg series10 converging to X 2Σ+(v=0) of CO+ [also series with v'=1]3:
npπOgawa and Ogawa's series11 (joining on to E, L)
νinf = 113029; formula not given, merging into npσ above n=8.
missing citation
npσOgawa and Ogawa's series11 (joining on to C, K)
νinf = 113029 - R/(n-0.615 - 0.263/n - 0.165/n2)2; n=3,4,...,32.
missing citation
nsσLindholm's series (joining on to B, J, I')
νinf = 113029; formula not given, n=3,4,...,10.
missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
I' (5sσ)           I' ← X 106383 12
missing citation; Lindholm, 1969
Z 1Σ+     [(1.9)]     [(1.14)] Z ↔ X 10 R (105724) 13 (Z)
Tilford and Simmons, 1974
H15 (1Π) (105811) (1097) (47)        H ← X 10 14 R 105266
Hopfield and Birge, 1927
H' 1Π     [1.415]     [1.318] H' ← X R 104119.6 Z
Ogawa and Ogawa, 1974
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
L 1Π 4pπ 103251 2181 Z (15)  [1.9812]   [0.000014]  [1.114] L ← X V 103271.5 Z
missing citation; Ogawa and Ogawa, 1974
L' (1Π)           L' ← X R 103215 HQ
Ogawa and Ogawa, 1974
K 1Σ+ 4pσ     [1.9189]   [0.000066]  [1.132] K ← X R 103054.3 Z
missing citation; Ogawa and Ogawa, 1974
W 1Π     [1.5585]   [0.000065]  [1.256] W ↔ X R 102807.1 Z
Ogawa and Ogawa, 1974; Tilford and Simmons, 1974
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
W' 1Π     [1.536]     [1.265] W' ← X R 102310.6 Z
missing citation
J 1Σ+ 4sσ (101409) [2235.3] Z (15)  [1.9203] 16   [0.0000058] 16  [1.1315] 16 J ← X R (101456) (Z)
missing citation
G 1Π(3dπ)     [1.9625]   [0.000007]  [1.1193] G ← X V 101031 Z
missing citation
G' 1Π     [(1.59)]     [1.24] G' ← X R 100651
missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
h (3Σ+,4sσ)           h ← X R (100392) (Z)
Ogawa and Ogawa, 1974
Y 1Σ+     [(1.83)]     [1.16] Y → X R (99963) (Z)
Tilford and Simmons, 1974
F 1Σ+(3dσ) (99803) [2034.4] Z 17  [1.86] 18  [0.00008] 18  [1.15] F ← X R 99739 Z
missing citation
V 1Π     [1.7]     [1.2] V ↔ → X R 98919 HQ
Ogawa and Ogawa, 1974; Tilford and Simmons, 1974
A 1Π state at 98836 cm-1 reported by Tschulanovsky, 1939 was shown ( Tilford and Simmons, 1974) to be due to N2.
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
g 3Σ+           g ← X R (98129.1) (Z)
Ogawa and Ogawa, 1974
E 1Π 3pπ (92903) [2153.8] Z (42)  1.9771 19 0.0254  [0.0000065]  1.1152 E → A V 28185.18 20 Z
missing citation; Kepa, Knot-Wisniewska, et al., 1975
           E ← X 21 V 92930.03 Z
missing citation; Ogawa and Ogawa, 1974
c 3Π 3pπ [93158.5]    [1.935] 22   [-0.000131] 23  [1.127] c → a V 43603.7
missing citation
           c ← X V 92076.9 Z
missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
C 1Σ+ 3pσ 91916.5 2175.92 Z 14.76 24  1.9533 25 0.0196  0.0000062  1.1219 C → A 26 27 V 27174.4 20 Z
Schmid and Gero, 1935
           C ↔ X 26 28 V 91919.15 Z
Tilford and Vanderslice, 1968; Aarts and de Heer, 1970
j (3Σ+3pσ) 90975 [2166] Z (15)  [1.8785] 29 (0.02)  [0.0000079]  [1.1441] j ← X R 90988.04 Z
Tilford and Vanderslice, 1968
            30
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
k [90972] 31          k → a V 41417 H
Kaplan, 1930
B 1Σ+ 3sσ 86945.2 2112.7 Z 15.22 32  1.9612 33 0.0261  0.0000071  1.1197 B → A 34 35 V 22171.35 20 Z
Schmid and Gero, 1935
           B → X 34 36 V 86916.16 Z
missing citation; Aarts and de Heer, 1970
b 3Σ+ 3sσ (83814) 2199.3 Z   1.986 37 38 0.042    1.113 b → a 39 40 V 35358.5 Z
Dieke and Mauchly, 1933; Gero, 1936; Beer, 1937
           b ← X 40 V 83831.7 H
Hopfield and Birge, 1927
f (3Σ+)This state, first suggested by Schmid and Gero, 1937 and listed by missing citation at T0 = 83744, is in all probability not a separate state but represents v = 31 and 35 of a' 3Σ+.41
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
D 1Δ 65928 1094 10.2  1.257 0.017    1.399 D ← X R 65391 42
missing citation; Simmons and Tilford, 1971; Tilford and Simmons, 1972
I 1Σ- 65084.40 1092.22 10.704 43  1.2705 44 0.01848 45  D2 = 9.0E-6  1.3911 I ← X R 64546.26 Z
missing citation; Simmons and Tilford, 1971; missing citation
A 1Π 65075.77 1518.24 19.4 46  1.6115 47 0.02325 48  0.00000733 49  1.2353 A ↔ X 50 51 52 R 64748.48 53 Z
missing citation; missing citation
e 3Σ- 64230.24 1117.72 10.686 54  1.2836 55 0.01753 56  0.00000677 57  1.384 e → a 58 R 15231.6
missing citation; Barrow, 1961
           e ← X T 63704.85 Z
missing citation; Simmons and Tilford, 1971; missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
d 3Δi 61120 59 1171.94 10.635 60  1.3108 61 0.01782 62  0.00000659 57  1.3696 d → a 63 58 R 12148.7
Gero and Szabo, 1939; Carroll, 1962; Slanger and Black, 1970
           d ← X R 60621.9 60 Z
Herzberg, Hugo, et al., 1970; missing citation
a' 3Σ+ 55825.49 1228.6 10.468 64  1.3446 65 0.01892 66  0.00000641 57  1.3523 a' → a 67 68 R 6882.4
Asundi, 1929; Beer, 1937; Gero and Lorinezi, 1939
           a' ← X 68 R 55355.6 Z
missing citation; Simmons and Tilford, 1971; missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
a 3Πr 48686.7 69 1743.41 14.36 70  1.69124 71 0.01904 72  0.00000636 73  1.20574 a ↔ X 74 75 R 48473.22 70
missing citation; Field, Tilford, et al., 1972; missing citation
X 1Σ+ 0 2169.81358 13.28831 76  1.93128087 77 0.01750441 78  6.12147E-06 79  1.128323 80 81  
3-0
Bouanich, Levy, et al., 1967; Bouanich, Levy, et al., 1968; Bouanich and Brodbeck, 1974
2-082
Mantz and Maillard, 1974
1-083
Rank, Skorinko, et al., 1960; Rao, Humphreys, et al., 1966
Rotation sp.:
Far IR sp. 84
Loewenstein, 1960
Microwave sp.
Rosenblum, Nethercot, et al., 1958; Helminger, De Lucia, et al., 1970; Lovas and Krupenie, 1974
Molecular beam el. reson.85
Muenter, 1975
Mol. beam magn. reson.86
Ozier, Yi, et al., 1967; Ozier, Crapo, et al., 1968

Notes

1Preceding the two K limits (see 88) are strong Rydberg series of absorption bands. The longest-wavelength absorptions correspond to excitation to the 2π orbital yielding a weak 3Π ← X 1Σ+ and a strong 1Π ← X 1Σ+ peak at 283 and 285 eV for the transitions from lsC and at 529 and 532 eV for the transitions from 1s0 Nakamura, Morioka, et al., 1971. The transitions to the 1Π states have also been observed in electron impact experiments at 287.7 and 534.4 eV van der Wiel, El-Sherbini, et al., 1970.
2Dissociation produced by absorption in these bands and subsequent atomic fluorescence Lee, Carlson, et al., 1975; predissociation into C+ + O- Locht and Durer, 1975.
3Calcu1ated Franck-Condon factors for ionization: X 2Σ+ ← X 1Σ+, A 2Π ← 1Σ+, and B 2Σ+ ← X 1Σ+, see Krupenie and Benesch, 1968 and Nicholls, 1968. Observed Franck-Condon factors from photoelectron spectrum Turner and May, 1966, Comes and Speier, 1971, Gardner and Samson, 1974; absolute ionization cross-sections Judge and Lee, 1972, Samson and Gardner, 1976.
4Tanaka's diffuse series (joining on to D2, D3)
5Ogawa and Ogawa's series III (joining on to T6)
6The progression P5 of Tanaka, 1942 [called T in MOLSPEC 1 and missing citation] must be reclassified as representing the members n=6, 7, and 9 of series III; see the spectrograms of Tanaka, 1942 and Ogawa and Ogawa, 1972.
7ν = 158664 - R/(n-0.902-0.232/n)2; n = 4,5,...,18.
8Diffuse looking bands.
9Preionization observed in electro-ionization of CO Carbonneau and Marmet, 1973.
10Absorption and photoionization coefficients from 1000 to 600 Å Cook, Metzger, et al., 1965.
11These series and progressions from the high resolution work of Ogawa and Ogawa, 1972 agree only partially with the early work Tanaka, 1942, Takamine, Tanaka, et al., 1943 at lower resolution.
12This strong absorption band is clearly present but not assigned on the spectrogram of Ogawa and Ogawa, 1972.
13An absorption band at this wavenumber is visible but not identified on the published spectrogram of Ogawa and Ogawa, 1972.
14This is the strongest system of Hopfield and Birge, 1927. It is clearly present on the reproduction of Ogawa and Ogawa, 1972, but these authors consider the first band at 950 Å as due to v'=1 of K(4pσ)←X. Do not assign the second (strongest) band at 941 Å and consider the third band at 933 Å as n=5, v'=0 of the Rydberg series which starts with C(3pσ) and E(3pπ).
15Previously called G [see missing citation]. The present G 1Π is from Ogawa and Ogawa, 1974.
16v=0 diffuse by predissociation, v=1 sharp. The rotational constants are for v=1 Ogawa and Ogawa, 1974.
17 Jevons, 1932 gives ωe = 2112 Jevons, 1932, ωexe = 198 Jevons, 1932, presumably from private communication by Hopfield-Birge.
18B1 = 1.837, D1 = 3E-6.
19Clear case of accidental predissociation for J=31 (e level) at 94872 cm-1 above v=0, J=0 of X 1Σ+ Simmons and Tilford, 1974.
20The ν00 values for B→A, C→A, E→A are not deperturbed and, therefore, do not add up with the deperturbed ν00 for A-X (see also 53) to the ν00 values listed for B-X, C-X, and E-X.
21Oscillator strength f00 = 0.094 Lassettre and Skerbele, 1971.
22Λ-type doubling, Δν = 0.011N(N+1). Triplet splitting unobservably small as for most Rydberg states.
23H0 = -1.9E-7. The rotational constants represent average values for the two Λ-doubling components.
24Only v=0 and 1 observed in absorption, only v=0 in emission. ωe, ωexe derived with the aid of isotope (12,13CO) data, see Tilford and Vanderslice, 1968.
25μel = 4.5 D Fisher and Dalby, 1976, from Stark effect observations on the Herzberg bands Fisher and Dalby, 1976.
26Lifetime τ(v=0) = 1.5 ns Hesser, 1968, Dotchin and Chupp, 1973; electronic branching ratios Dotchin and Chupp, 1973.
27 Kepa, 1969 and Asundi, Dhumwad, et al., 1970 have studied the bands of the isotopic molecules 13C16O and 12C18O.
28Osci1lator strength f00 = 0.163 Lassettre and Skerbele, 1971.
29Rotational lines are diffuse because of predissociation.
30In the electron energy loss spectrum Swanson, Celotta, et al., 1975 find a peak at 90858 cm-1 which, according to them, cannot be identified with the j 3Σ+ state.
31single 0-v" progression.
32Only two vibrational levels observed, ΔG(1/2) = 2082.26. ωe, ωexe derived with the aid of isotope data Tilford and Vanderslice, 1968.
33A partial breaking off of the rotational structure in the Å bands occurs above J=37 in v'=0 and above J=17 in v'=1 leading to a dissociation limit at 89595 ± 30 cm-1 Douglas and Moller, 1955. RKR potential missing citation. μel = 1.60 D Fisher and Dalby, 1976 from Stark effect measurements on the Å bands Fisher and Dalby, 1976.
34Lifetime τ(v=0) = 21.8 ns Imhof, Read, et al., 1972, good agreement with Hesser, 1968, Rogers and Anderson, 1970, Dotchin and Chupp, 1973. τ(v=1) = 15.5 ns Imhof, Read, et al., 1972; Rogers and Anderson, 1970 give 23.8 ns. Electronic branching ratios Dotchin and Chupp, 1973.
35Franck-Condon factors missing citation. Kepa and Rytel, 1970 have studied the rotational structure in the Å bands of the isotopic molecules 12C18O, 13C16O, 13C18O and the perturbations in these isotopes as well as in 12C16O; see also Douglas and Moller, 1955, Janjic, Pesic, et al., 1969.
36Oscillator strength f00 = 0.0153 Lassettre and Skerbele, 1971. Discussion of the r-dependence of the transition moment Imhof, Read, et al., 1972.
37This state is strongly perturbed by the higher vibrational levels of the a' 3Σ+ state (near its dissociation limit). Dieke and Mauchly, 1933 derived B0 = 1.89 from lines with N values between 7 and 15. Gero, 1935 from deperturbed term values derived B0 = 2.058 ; Schmid and Gero, 1935, 2 gave α = 0.033 Schmid and Gero, 1935, 2. The listed values of Be and αe are from a revised deperturbation by Stepanov, 1940 who also gives the deperturbed constants ΔG(1/2) = 2188 Stepanov, 1940 and τ0 = 83816 Stepanov, 1940.
38Only two vibrational levels, v=0 and 1, have been observed. Breaking off on account of predissociation in v=0 above N=55, in v=1 above N=42 Gero, 1935, Gero, 1936. The absence of v=2 is puzzling since it is expected to lie below the dissociation limit Barrow, Gratzer, et al., 1956.
39Lifetimes τ(v=0) =53.6 ns Rogers and Anderson, 1970, 2, Smith, Imhof, et al., 1973, τ(v=1) = 69.1 ns Rogers and Anderson, 1970, 2, Smith, Imhof, et al., 1973.
40Franck-Condon factors missing citation.
41This interpretation was first suggested by Gero, 1938. It is in agreement with the data of Tilford and Simmons, 1972 on the a'-X system. The occurrence of these particular vibrational levels of a' 3Σ+ in the emission spectrum is due to strong interaction with b 3Σ+. Indeed, the levels mentioned were observed as "extra" bands accompanying the b 3Σ+ → a 3Π (third positive) bands.
42Extrapo1ated, only v'=1, 6, 21 observed.
43ωexe= +0.0554(v+1/2)3- ...; for higher order coefficients see Tilford and Simmons, 1972.
44RKR potential Tilford and Simmons, 1972.
45αv= +0.000291(v+1/2)2 - + ...; for higher order coefficients see Tilford and Simmons, 1972. Revised coefficients from deperturbed Bv values in Field, 1971.
46missing note
47Numerous perturbations produced by e 3Σ-, d 3Δ, a' 3Σ+, D 1Δ, I 1Σ-, discussed by many investigators and summarized in Simmons, Bass, et al., 1969. Deperturbed Tv and Bv values are given by Field, Wicke, et al., 1972, see also Field, 1971. RKR potential Tilford and Simmons, 1972; the potential function has a maximum, the last observed level lies above the dissociation limit.
48αv= +0.00159(v+1/2)2 - + ...; higher order coefficients in Tilford and Simmons, 1972, revised coefficients from deperturbed B values in Field, 1971.
49Calculated value, βe = +0.10E-6; see Field, Wicke, et al., 1972.
50Lifetimes Hesser, 1968, Imhof and Read, 1971, Burnham, Isler, et al., 1972 : τ=10.7 ns; v=0, τ=10.4 ns; v=1, τ=9.4 ns; v=2, τ=9.0 ns; v=3, τ=9.7 ns; v=4, τ=9.8 ns; v=5, τ=10.5 ns;v=6. Values that are about 50% larger were given by Chervenak and Anderson, 1971.
51Oscillator strength fel = 0.195 Lassettre and Skerbele, 1971, f00 = 0.020 Lassettre and Skerbele, 1971. f values from lifetime measurements Hesser, 1968 are approximately a factor of 2 smaller. See also Mumma, Stone, et al., 1971 [r-dependence of electronic transition moment, fel ~ 0.15 Mumma, Stone, et al., 1971] and Pilling, Bass, et al., 1971, Vargin, Pasynkova, et al., 1973. Franck-Condon factors Halmann and Laulicht, 1966, missing citation, Shimauchi, 1976.
52See Shvangiradze, Oganezov, et al., 1960, Rytel and Siwiec, 1973 for spectroscopic data on 13CO and C18O.
53This is a nominal, rotationally deperturbed value. The lowest observed levels (v=0, J=1) lie at 64747.90(-) and at 64748.09(+) which would correspond to a J=0 level at 64744.8 cm-1.
54ωexe= +0.1174(v+1/2)3- + ... Tilford and Simmons, 1972; from Tilford and Simmons, 1972, see also Field, 1971.
55Spin-splitting constant λ0= +0.51; for its dependence on v see Field, 1971, Field and Lefebvre-Brion, 1974. RKR potential Tilford and Simmons, 1972.
56αv= +7.1E-6(v+1/2)2 + - ...; the coefficients are from Tilford and Simmons, 1972, but considerably different values for the higher order terms were obtained by Field, 1971 from deperturbed rotational constants.
57Calculated value, see Field, 1971.
58Intensity distribution, relative electronic transition moments: e→a Slanger and Black, 1976, d→a Slanger and Black, 1972. Franck-Condon factors; d→a missing citation. Rotational intensity distribution in the "triplet" bands Kovacs and Toros, 1965.
59Av = -16.005 - 0.113(v+1/2) - 0.00357(v+1/2)2 Field, 1971.
60ωexe= +0.0785(v+1/2)3-0.001634(v+1/2)4 Tilford and Simmons, 1972. The constants refer to the 3Δ2 component Tilford and Simmons, 1972; see also Field, 1971.
61RKR potential Tilford and Simmons, 1972.
62αv= +0.000113(v+1/2)2 Tilford and Simmons, 1972. The constants refer to the 3Δ2 component Tilford and Simmons, 1972. From properly averaged term values of v=3,4,7,9 Carroll, 1962 gives Be = 1.3099 Carroll, 1962, αe = 0.01677 Carroll, 1962 in good agreement with the first two of the expansion coefficients determined by Field, 1971.
63Lifetime strongly dependent on J and Ω because of perturbations by A 1Π Slanger and Black, 1973.
64ωexe= +0.0091(v+1/2)3 + 0.00259(v+1/2)4- + ... Tilford and Simmons, 1972. Revised coefficients from deperturbed Tv values in Field, 1971.
65Spin-splitting constants λ0 = -1.23, γ0 ~ -0.007; dependence on v Field, 1971, Field and Lefebvre-Brion, 1974. See also Sink, Lefebvre-Brion, et al., 1975. Dipole moment μel = 1.06 D (-CO+), from the radiofrequency spectrum of a3Π; see Wicke, Field, et al., 1972, Wicke, Klemperer, et al., 1975. RKR potential Tilford and Simmons, 1972.
66αv= +0.000345(v+1/2)2 - + ... Tilford and Simmons, 1972; revised coefficients from deperturbed Bv values in Field, 1971.
67Lifetime τ= 3.7 to 2.9 μs; v=5 to 8 Hartfuss and Schmillen, 1968.
68Franck-Condon factors Halmann and Laulicht, 1966, missing citation.
69Av =+ 41.53 - 0.14(v+1/2) - 0.009(v+1/2)2; AJ(v=0) = -0.000206.
70ωexe= -0.045(v+1/2)3 + 0.0025(v+1/2)4; all vibrational and rotational constants for this state are from deperturbed levels Field, Tilford, et al., 1972, Field, Wicke, et al., 1972.
71Very precise values for the Λ-type doubling in 3Π1 and 3Π2, v=0-7, J=1-8, have been obtained Stern, Gammon, et al., 1970, Gammon, Stern, et al., 1971, Wicke, Field, et al., 1972, Wicke, Klemperer, et al., 1975 from the study of the radiofrequency spectrum in a molecular beam electric resonance apparatus. While these doublings are small and increase rapidly with J the Λ-doubling for 3Π0 [from combination defects Dieke and Mauchly, 1933, Freund and Klemperer, 1965] is fairly large at low J (~1.7 cm-1) and decreases with J. Hyperfine structure in 13C16O Gammon, Stern, et al., 1971, 2. Dipole moment (+CO-) from molecular beam electric resonance spectrum μel(v=0) = 1.374 D Wicke, Field, et al., 1972; dipole moment function and radiative lifetimes for vibrational transitions in a 3Π Wicke and Klemperer, 1975, Wicke and Klemperer, 1975, 2.
72αv= -0.000041(v+1/2)2; see β.
73Calculated value, βe = +0.04E-6 Field, Tilford, et al., 1972, Field, Wicke, et al., 1972.
74Lifetime from time of flight studies τ= ~9.5 ms Johnson, 1972; from afterglow decay τ= 7.5 ms Lawrence, 1971, Wauchop and Broida, 1972; theoretical values James, 1971.
75missing note
76ωexe= +0.010511(v+1/2)3 + 5.74E-5(v+1/2)4 + 9.83E-7(v+1/2)5 - 3.166E-8(v+1/2)6; v≤37 Mantz and Maillard, 1975.
77RKR potential functions Mantz, Watson, et al., 1971, Dickinson, 1972, Fleming and Rao, 1972.
78αv= +5.487E-7(v+1/2)2 + 2.54E-8(v+1/2)3 Mantz and Maillard, 1975.
79Dv= -1.153E-9(v+1/2) + 1.805E-10(v+1/2)2 Mantz and Maillard, 1975; Hv = [5.83 - 0.1738(v+1/2)]E-12 Mantz and Maillard, 1975.
80From the effective Be value; the "true" Be = 1.93160 Bunker, 1970 found by Bunker, 1970 after introducing adiabatic and non-adiabatic corrections (and using older data) leads to re = 1.12823 Å 469. See also Bunker, 1972, Watson, 1973.
81Rot.-vibr. sp. 96, 97:
82Δv=2 sequence up to 33-31 in chemiluninescence Schwartz and Thrush, 1969 and flames Mantz and Maillard, 1974.
83Δv=1 sequence up to 37-36 in the CO laser Mantz, Nichols, et al., 1970, Yardley, 1970, Kildal, Eng, et al., 1974; 1-0 band in resonance fluorescence Millikan, 1963, McCaa and Williams, 1964.
84Line widths and intensities Dowling, 1969, Sanderson, Scott, et al., 1971. High pressure gas and liquid far IR absorption spectra in Ar Buontempo, Cunsolo, et al., 1973; the quadrupole moment derived from this and other experimental and theoretical work [see Billingsley and Krauss, 1974] is Qm= -2.0E-26 esu cm2.
85μel(v=0, J=0) = 0.10980 D (-CO+); with the dipole moment function of Toth, Hunt, et al., 1969 (see 97) this gives 0.1222 D at re Muenter, 1975.
86gJ = -0.26890 μN Ozier, Yi, et al., 1967 for 12C16O Ozier, Yi, et al., 1967; gJ = -0.25691 μN Ozier, Crapo, et al., 1968 for 13C16O Ozier, Crapo, et al., 1968.
87From the predissociation in the B 1Σ+ state (see 33). The uncertainty of ±0.017 eV corresponds to the uncertainty as to which combination of 3P component states arises at the dissociation limit.
88From Rydberg series Ogawa and Ogawa, 1972. For the second and third I.P. (1π and 4σ orbitals) see the higher Rydberg limits in the Table. The fourth, fifth, and sixth I.P. (3σ, 2σ, 1σ) have been determined from X-ray photoelectron spectroscopy to be 38.9, 296.24 (K limit of C), and 542.57 eV. (K limit of O), respectively Siegbahn, Nordling, et al., 1969, Thomas, 1970, Smith and Thomas, 1976. See also 3.
89Absorption and photoionization coefficients from 1000 to 600 Å Cook, Metzger, et al., 1965.
90Calcu1ated Franck-Condon factors for ionization: X 2Σ+ ← X 1Σ+, A 2Π ← 1Σ+, and B 2Σ+ ← X 1Σ+, see Krupenie and Benesch, 1968 and Nicholls, 1968. Observed Franck-Condon factors from photoelectron spectrum Turner and May, 1966, Comes and Speier, 1971, Gardner and Samson, 1974; absolute ionization cross-sections Judge and Lee, 1972, Samson and Gardner, 1976.
91cf. Ogawa and Ogawa's Rydberg series converging to A 2Π1/2.
92The b→a bands with v'=1 were previously called "5B" bands Asundi, 1929.
93Lifetime of this state (and/or D 1Δ) 97 ± 15 μs Wells, Borst, et al., 1973.
94ωexe= +0.766(v+1/2)3 - + ...; higher order coefficients in Tilford and Simmons, 1972. Because of numerous perturbations (see 95) these constants do not accurately represent the observed (v≤23) vibrational levels. Revised coefficients from deperturbed Tv values [see Field, Wicke, et al., 1972] in Field, 1971.
95Franck-Condon factors Halmann and Laulicht, 1966, missing citation.
96For data on 13C16O, 12C18O, 13C18O see Johns, McKellar, et al., 1974, Chen, Rao, et al., 1976.
97Intensities in 1-0, 2-0, 3-0 rotation-vibration bands and dipole moment function Young and Eachus, 1966, Toth, Hunt, et al., 1969, Moskalenko and Mirumyants, 1971, Roux, Effantin, et al., 1972, Billingsley and Krauss, 1974, 2, Bouanich and Brodbeck, 1974, 2, Varanasi and Sarangi, 1975 Tipping, 1976; for Δv=1 transitions with v=4-10 Weisbach and Chackerian, 1973. Pressure shift and pressure broadening Hunt, Toth, et al., 1968, Hoover and Williams, 1969, Bouanich, Larvor, et al., 1969, Bouanich and Brodbeck, 1974, Varanasi, 1975, Moskalenko, 1975.

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Constants of diatomic molecules, Notes

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

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Notes

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