Carbon monoxide
- Formula: CO
- Molecular weight: 28.0101
- IUPAC Standard InChIKey: UGFAIRIUMAVXCW-UHFFFAOYSA-N
- CAS Registry Number: 630-08-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Carbon oxide (CO); CO; Exhaust gas; Flue gas; Carbonic oxide; Carbon oxide; Carbone (oxyde de); Carbonio (ossido di); Kohlenmonoxid; Kohlenoxyd; Koolmonoxyde; NA 9202; Oxyde de carbone; UN 1016; Wegla tlenek; Carbon monooxide
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- Information on this page:
- Other data available:
- Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 150, reactions 151 to 200, reactions 201 to 249
- Henry's Law data
- Ion clustering data
- Fluid Properties
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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 |
---|---|---|---|---|---|
ΔfH°gas | -26.417 ± 0.041 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | -26.417 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1965 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 47.2419 ± 0.001 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 47.242 | cal/mol*K | Review | Chase, 1998 | Data 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1300. | 1300. to 6000. |
---|---|---|
A | 6.110801 | 8.401219 |
B | 1.457011 | 0.310730 |
C | 0.969086 | -0.049216 |
D | -0.638456 | 0.003239 |
E | 0.031315 | -0.784603 |
F | -28.20480 | -30.55390 |
G | 54.34190 | 55.38050 |
H | -26.41661 | -26.41661 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1965 | Data last reviewed in September, 1965 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 81.63 | K | N/A | Mullins, Kirk, et al., 1963 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tboil | 81.61 | K | N/A | Clayton and Giauque, 1932 | Uncertainty assigned by TRC = 0.07 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 67.95 | K | N/A | Gill and Morrison, 1966 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.06 K; TRC |
Ttriple | 68.12 | K | N/A | Mullins, Kirk, et al., 1963 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 68.09 | K | N/A | Clayton and Giauque, 1932 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.07 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 134.45 | K | N/A | Cardoso, 1915 | Uncertainty assigned by TRC = 0.4 K; 4 determinations with same result; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 34.5300 | atm | N/A | Cardoso, 1915 | Uncertainty assigned by TRC = 0.2999 atm; TRC |
Pc | 34.5300 | atm | N/A | Cardoso, 1915 | Uncertainty assigned by TRC = 0.2999 atm; TRC |
Pc | 34.6900 | atm | N/A | Cardoso, 1915 | Uncertainty assigned by TRC = 0.2999 atm; TRC |
Pc | 34.7500 | atm | N/A | Cardoso, 1915 | Uncertainty assigned by TRC = 0.2999 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 11.1 | mol/l | N/A | Cardoso, 1915 | Uncertainty assigned by TRC = 0.04 mol/l; extrapolation of rectilinear diameter to Tc; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
1.4 | 93. | A | Stephenson and Malanowski, 1987 | Based on data from 68. to 108. K.; AC |
1.4 | 81. | N/A | Clayton and Giauque, 1932, 2 | Based on data from 69. to 83. K.; AC |
1.4 | 81. | C | Clayton and Giauque, 1932, 2 | AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
1.8 | 58. | N/A | Stephenson and Malanowski, 1987 | Based on data from 54. to 61. K.; AC |
1.9 | 60. | A | Stull, 1947 | Based on data from 51. to 68. K.; AC |
1.9 | 62. | A | Crommelin, Bijleveld, et al., 1931 | Based on data from 57. to 68. K.; AC |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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
(solution) +
(solution) = C14H21MnO2 (solution) +
(solution)
By formula: C8H5MnO3 (solution) + C7H16 (solution) = C14H21MnO2 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47. ± 2. | kcal/mol | AVG | N/A | Average of 18 values; Individual data points |
(solution) +
(solution) = C12H16CrO5 (solution) +
(solution)
By formula: C6CrO6 (solution) + C7H16 (solution) = C12H16CrO5 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.1 ± 0.8 | kcal/mol | AVG | N/A | Average of 13 values; Individual data points |
(solution) = C5CrO5 (solution) +
(solution)
By formula: C6CrO6 (solution) = C5CrO5 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40.20 ± 0.60 | kcal/mol | KinS | Graham and Angelici, 1967 | solvent: 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 |
ΔrH° | 38.10 | kcal/mol | KinS | Werner and Prinz, 1966 | solvent: 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 |
(solution) = C5MoO5 (solution) +
(solution)
By formula: C6MoO6 (solution) = C5MoO5 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31.7 ± 1.4 | kcal/mol | KinS | Graham and Angelici, 1967 | solvent: 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 |
ΔrH° | 30.21 | kcal/mol | KinS | Werner and Prinz, 1966 | solvent: 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 |
(solution) = C5O5W (solution) +
(solution)
By formula: C6O6W (solution) = C5O5W (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.9 ± 1.6 | kcal/mol | KinS | Graham and Angelici, 1967 | solvent: 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 |
ΔrH° | 39.01 | kcal/mol | KinS | Werner and Prinz, 1966 | solvent: 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) + (solution) =
(g) +
(solution)
By formula: C11H2O11Os (solution) + CO (solution) = H2 (g) + C12O12Os3 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -9.0 ± 2.3 | kcal/mol | ES/KS | Poë, Sampson, et al., 1993 | solvent: Decalin; Calculated from equilibrium and kinetic data Poë, Sampson, et al., 1993.; MS |
ΔrH° | -18.5 ± 2.3 | kcal/mol | N/A | Poë, Sampson, et al., 1993 | solvent: 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 |
(g) = C4FeO4 (g) +
(g)
By formula: C5FeO5 (g) = C4FeO4 (g) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.5 ± 3.0 | kcal/mol | LPHP | Lewis, Golden, et al., 1984 | Please also see Smith and Laine, 1981. Temperature range: 670-780 K. The reaction enthalpy at 298 K relies on an activation energy of 40.01 kcal/mol and assumes a negligible activation barrier for product recombination. The enthalpy of formation relies on -173.0 ± 1.6 kcal/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: 1.7 kcal/mol Miller and Grant, 1985 and 3.99 kcal/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 |
ΔrH° | 55. ± 11. | kcal/mol | N/A | Engelking and Lineberger, 1979 | Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS |
(g) = C5MoO5 (g) +
(g)
By formula: C6MoO6 (g) = C5MoO5 (g) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.9 ± 5.0 | kcal/mol | KinG | Ganske and Rosenfeld, 1990 | MS |
ΔrH° | 40.5 ± 3.0 | kcal/mol | LPHP | Lewis, Golden, et al., 1984 | The reaction enthalpy at 298 K relies on an activation energy of 39.01 kcal/mol and assumes a negligible activation barrier for product recombination. The enthalpy of formation relies on -218.8 ± 0.50 kcal/mol for the enthalpy of formation of Mo(CO)6(g); MS |
ΔrH° | 30.21 | kcal/mol | KinG | Cetini and Gambino, 1963 | Please 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 |
(g) = C5O5W (g) +
(g)
By formula: C6O6W (g) = C5O5W (g) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.0 ± 3.0 | kcal/mol | LPHP | Lewis, Golden, et al., 1984 | The reaction enthalpy at 298 K relies on an activation energy of 44.50 kcal/mol and assumes a negligible activation barrier for product recombination. The enthalpy of formation relies on -211.3 ± 0.65 kcal/mol for the enthalpy of formation of W(CO)6(g); MS |
ΔrH° | 39.79 | kcal/mol | KinG | Cetini and Gambino, 1963, 2 | Please 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 |
(g) = C5CrO5 (g) +
(g)
By formula: C6CrO6 (g) = C5CrO5 (g) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.0 ± 5.0 | kcal/mol | KinG | Fletcher and Rosenfeld, 1988 | MS |
ΔrH° | 36.8 ± 3.0 | kcal/mol | LPHP | Lewis, Golden, et al., 1984 | Temperature range: 740-820 K. The reaction enthalpy at 298 K relies on an activation energy of 35.30 kcal/mol and assumes a negligible activation barrier for product recombination.; MS |
ΔrH° | 38.70 | kcal/mol | KinG | Pajaro, Calderazzo, et al., 1960 | Please 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) + (solution) =
(solution) +
(solution)
By formula: C10H5CrNO5 (solution) + CO (solution) = C6CrO6 (solution) + C4H4N2 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -14.8 | kcal/mol | KinS | Wovkulich and Atwood, 1980 | solvent: Hexane; The data rely on the enthalpy and entropy of activation for the forward reaction, 25.4 ± 1.1 kcal/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, 40.20 ± 0.60 kcal/mol and 94.6±6.3 J/(mol K) Graham and Angelici, 1967. The latter data were obtained in decalin; MS |
By formula: CO+ + CO = (CO+ • CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16. | kcal/mol | PIPECO | Norwood, Guo, et al., 1988 | gas phase; CO+ in state B, ΔrH>; M |
ΔrH° | 22.4 | kcal/mol | PI | Linn, Ono, et al., 1981 | gas phase; M |
ΔrH° | 28. ± 7. | kcal/mol | EI | Munson and Franlin, 1962 | gas phase; from IP'switching reaction and heats of formation; M |
ΔrH° | 25.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1974 | gas phase; ΔrH>, DG>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1974 | gas phase; ΔrH>, DG>; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.9 | 340. | HPMS | Chong and Franklin, 1971 | gas phase; equilibrium uncertain; M |
11.5 | 695. | PHPMS | Meot-Ner (Mautner) and Field, 1974 | gas phase; ΔrH>, DG>; M |
By formula: C6O6W (cr) = 6CO (g) + W (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71.4 ± 1.1 | kcal/mol | TD-HFC, HAL-HFC | Al-Takhin, Connor, et al., 1984 | The reaction enthalpy corresponds to the TD experiments and leads to -229.9 ± 1.1 kcal/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: 17.5 ± 0.2 kcal/mol Adedeji, Brown, et al., 1975, 17.7 ± 1.0 kcal/mol Hieber and Romberg, 1935, 16.7 ± 1.0 kcal/mol Rezukhina and Shvyrev, 1952, and 18.9 ± 0.26 kcal/mol Daamen, Ernsting, et al., 1979 Boxhoorn, Ernsting, et al., 1980. See also Pilcher, Ware, et al., 1975; MS |
ΔrH° | 70.77 ± 0.43 | kcal/mol | TD-HZC | Barnes, Pilcher, et al., 1974 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS |
(solution) + 3
(solution) = 3C5O5Ru (solution)
By formula: C12O12Ru3 (solution) + 3CO (solution) = 3C5O5Ru (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.11 ± 0.26 | kcal/mol | EqS | Koelliker and Bor, 1991 | solvent: Isooctane; Temperature range: 373-448 K; MS |
ΔrH° | -6.48 ± 0.45 | kcal/mol | EqS | Bor, 1986 | solvent: n-Hexane; Temperature range: ca. 348-448 K; MS |
(solution) = C7Co2O7 (solution) +
(solution)
By formula: C8Co2O8 (solution) = C7Co2O7 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.2 | kcal/mol | KinS | Ungváry and Markó, 1974 | solvent: Heptane; Temperature range: 298-328 K; MS |
ΔrH° | 21.0 | kcal/mol | KinS | Ungváry, 1972 | solvent: Heptane; Temperature range: 307-337 K; MS |
(cr) +
(l) = C10H5NO5W (cr) +
(g)
By formula: C6O6W (cr) + C4H4N2 (l) = C10H5NO5W (cr) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.27 | kcal/mol | N/A | Nakashima and Adamson, 1982 | The 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, 6.55 ± 0.69 kcal/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 1.9 kcal/mol, respectively Nakashima and Adamson, 1982.; MS |
By formula: CHO+ + CO = (CHO+ • CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 | kcal/mol | PHPMS | Jennings, Headley, et al., 1982 | gas phase; M |
ΔrH° | 12.8 | kcal/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
ΔrH° | 11.7 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | PHPMS | Jennings, Headley, et al., 1982 | gas phase; M |
ΔrS° | 24. | cal/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
ΔrS° | 20.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1974 | gas phase; M |
By formula: Co+ + CO = (Co+ • CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.6 ± 1.7 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 39. ± 3. | kcal/mol | MKER | Carpenter, van Koppen, et al., 1995 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
41.5 (+1.6,-0.) | CID | Goebel, Haynes, et al., 1995 | gas phase; guided ion beam CID; M | |
39.0 (+4.8,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
(solution) +
(solution) = C12H16MoO5 (solution) +
(solution)
By formula: C6MoO6 (solution) + C7H16 (solution) = C12H16MoO5 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.3 ± 2.9 | kcal/mol | PAC | Johnson, Popov, et al., 1991 | solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation.; MS |
ΔrH° | 31.8 ± 1.3 | kcal/mol | PAC | Morse, Parker, et al., 1989 | solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation; MS |
By formula: C2FeO2 (g) = CO (g) + CFeO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.7 ± 3.5 | kcal/mol | FA-SIFT | Sunderlin, Wang, et al., 1992 | MS |
ΔrH° | >27.0 | kcal/mol | N/A | Venkataraman, Bandukwalla, et al., 1989 | Method: Velocity distributions of photofragments from Fe(CO)5.; MS |
ΔrH° | 23.9 ± 6.9 | kcal/mol | N/A | Engelking and Lineberger, 1979 | Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS |
By formula: C4NiO4 (g) = 4CO (g) + Ni (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38.34 ± 0.60 | kcal/mol | EqG | Monteil, Raffin, et al., 1988 | The reaction enthalpy is the average of several 2nd and 3rd law results Monteil, Raffin, et al., 1988; MS |
By formula: Ni+ + CO = (Ni+ • CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39. ± 3. | kcal/mol | MKER | Carpenter, van Koppen, et al., 1995 | gas phase; determined from MKER and theory; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
41.7 (+2.5,-0.) | CID | Khan, Steele, et al., 1995 | gas phase; guided ion beam CID; M | |
42.5 (+2.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: C3FeO3 (g) = CO (g) + C2FeO2 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.0 ± 5.8 | kcal/mol | FA-SIFT | Sunderlin, Wang, et al., 1992 | MS |
ΔrH° | 25.1 | kcal/mol | N/A | Venkataraman, Bandukwalla, et al., 1989 | Method: Velocity distributions of photofragments from Fe(CO)5.; MS |
ΔrH° | 32.7 ± 6.9 | kcal/mol | N/A | Engelking and Lineberger, 1979 | Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS |
CFeO (g) = (g) +
(g)
By formula: CFeO (g) = CO (g) + Fe (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.4 ± 3.5 | kcal/mol | FA-SIFT | Sunderlin, Wang, et al., 1992 | MS |
ΔrH° | <39.0 | kcal/mol | N/A | Venkataraman, Bandukwalla, et al., 1989 | Method: Velocity distributions of photofragments from Fe(CO)5.; MS |
ΔrH° | 21. ± 6.9 | kcal/mol | N/A | Engelking and Lineberger, 1979 | Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS |
By formula: C4FeO4 (g) = C3FeO3 (g) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.0 ± 8.6 | kcal/mol | FA-SIFT | Sunderlin, Wang, et al., 1992 | MS |
ΔrH° | 10. | kcal/mol | N/A | Venkataraman, Bandukwalla, et al., 1989 | Method: Velocity distributions of photofragments from Fe(CO)5.; MS |
ΔrH° | 4.5 ± 9.3 | kcal/mol | N/A | Engelking and Lineberger, 1979 | Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS |
(solution) = C3NiO3 (solution) +
(solution)
By formula: C4NiO4 (solution) = C3NiO3 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.6 | kcal/mol | KinS | Turner, Simpson, et al., 1983 | solvent: Liquid krypton; The reaction enthalpy relies on the experimental value for the activation enthalpy, 22.6 kcal/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 • 4294967295) +
= 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 |
---|---|---|---|---|---|
ΔrH° | 34.7 ± 9.6 | kcal/mol | N/A | Nakajima, Taguwa, et al., 1994 | gas phase; Vertical Detachment Energy: 3.02±0.13 eV; B |
ΔrH° | 36. ± 12. | kcal/mol | N/A | Engelking and Lineberger, 1979 | gas phase; B |
ΔrH° | 41.7 ± 2.5 | kcal/mol | CIDT | Sunderlin, Wang, et al., 1992 | gas phase; Affinity: CO..Fe(CO)3-; B |
By formula: C15H10O = C14H10 + CO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.7 ± 1.2 | kcal/mol | Cpha | Hung and Grabowski, 1992 | liquid phase; solvent: Alkane; ALS |
ΔrH° | 4.2 ± 2.5 | kcal/mol | Cpha | Herman and Goodman, 1989 | solid phase; solvent: Acetonitrile/water; ALS |
ΔrH° | -9.9 ± 2.9 | kcal/mol | Cpha | Grabowski, Simon, et al., 1984 | liquid phase; solvent: Benzene; ALS |
By formula: (CHO+ • 2CO) + CO = (CHO+ • 3CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.7 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 6.3 | kcal/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.8 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 26. | cal/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
By formula: (CHO+ • 3CO) + CO = (CHO+ • 4CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.5 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 6.2 | kcal/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.2 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 29. | cal/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
By formula: (CHO+ • 4CO) + CO = (CHO+ • 5CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.2 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 5.8 | kcal/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 32. | cal/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
By formula: (CHO+ • CO) + CO = (CHO+ • 2CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.9 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 6.6 | kcal/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.0 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 24. | cal/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
CNiO (g) = (g) +
(g)
By formula: CNiO (g) = CO (g) + Ni (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40.6 ± 5.8 | kcal/mol | FA-SIFT | Sunderlin, Wang, et al., 1992 | MS |
ΔrH° | 25.8 | kcal/mol | N/A | McQuaid, Morris, et al., 1988 | Method: Chemiluminescence spectroscopy.; MS |
ΔrH° | 29. ± 15. | kcal/mol | N/A | Stevens, Feigerle, et al., 1982 | Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS |
By formula: (Co+ • CO) + CO = (Co+ • 2CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.6 ± 2.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
36.4 (+2.1,-0.) | CID | Goebel, Haynes, et al., 1995 | gas phase; guided ion beam CID; M | |
32.9 (+4.8,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Fe+ + CO = (Fe+ • CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.8 ± 1.0 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 32. ± 3. | kcal/mol | MKER | Carpenter, van Koppen, et al., 1995 | gas phase; determined from MKER and theory; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31.3 (+1.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
(solution) +
(solution) =
(solution)
By formula: C6H3MnO5 (solution) + CO (solution) = C7H3MnO6 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13.4 ± 1.0 | kcal/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Tetrahydrofuran; MS |
ΔrH° | -12.6 | kcal/mol | EqS | Calderazzo, 1977 | solvent: 2,2'-diethoxydiethyl ether; MS |
By formula: C4HCoO4 (g) = 0.5H2 (g) + 4CO (g) + Co (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.38 ± 0.50 | kcal/mol | EqG | Bronshstein, Gankin, et al., 1966 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970. Temperature range: ca. 423-533 K; MS |
By formula: (Na+ • CO) + CO = (Na+ • 2CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.7 ± 0.7 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 5.7 ± 0.7 | kcal/mol | CIDT | Walter, Sievers, et al., 1998 | RCD |
ΔrH° | 7.5 | kcal/mol | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.1 | cal/mol*K | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
(solution) +
(solution) = C10H5NO5W (solution) +
(solution)
By formula: C6O6W (solution) + C4H4N2 (solution) = C10H5NO5W (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.55 ± 0.69 | kcal/mol | PC | Nakashima and Adamson, 1982 | solvent: Cyclohexane; MS |
ΔrH° | 5.95 ± 0.69 | kcal/mol | PC | Nakashima and Adamson, 1982 | solvent: Benzene; MS |
ΔrH° | 4.40 ± 0.1 | kcal/mol | PC | Nakashima and Adamson, 1982 | solvent: Tetrahydrofuran; MS |
By formula: Na+ + CO = (Na+ • CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.6 ± 1.9 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 7.6 ± 1.9 | kcal/mol | CIDT | Walter, Sievers, et al., 1998 | RCD |
ΔrH° | 12.6 | kcal/mol | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
(g) = C3NiO3 (g) +
(g)
By formula: C4NiO4 (g) = C3NiO3 (g) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25. ± 2. | kcal/mol | N/A | Stevens, Feigerle, et al., 1982 | Please also see Compton and Stockdale, 1976. The enthalpy of formation relies on -144.0 ± 0.62 kcal/mol for the enthalpy of formation of Ni(CO)4(g) Method: LPS and collision with low energy electrons.; MS |
By formula: (CO+ • 2CO) + CO = (CO+ • 3CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.21 | kcal/mol | PHPMS | Hiraoka and Mori, 1991 | gas phase; two isomers, at low and high temperatures; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.5 | cal/mol*K | PHPMS | Hiraoka and Mori, 1991 | gas phase; two isomers, at low and high temperatures; M |
By formula: (CO+ • 5CO) + CO = (CO+ • 6CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.70 | kcal/mol | PHPMS | Hiraoka and Mori, 1991 | gas phase; two isomers, at low and high temperatures; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.1 | cal/mol*K | PHPMS | Hiraoka and Mori, 1991 | gas phase; two isomers, at low and high temperatures; M |
C34H52OTh (solution) + (solution) = C35H52O2Th (solution)
By formula: C34H52OTh (solution) + CO (solution) = C35H52O2Th (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -5.9 ± 1.5 | kcal/mol | EqS | Moloy and Marks, 1984 | solvent: Toluene; Temperature range: ca. 180-200 K; MS |
C29H50OTh (solution) + (solution) = C30H50O2Th (solution)
By formula: C29H50OTh (solution) + CO (solution) = C30H50O2Th (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -4.49 ± 0.91 | kcal/mol | EqS | Moloy and Marks, 1984 | solvent: Toluene; Temperature range: ca. 180-220 K; MS |
By formula: C6MoO6 (cr) = 6CO (g) + Mo (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.89 ± 0.36 | kcal/mol | TD-HZC | Barnes, Pilcher, et al., 1974, 2 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS |
ΔrH° | 71.0 ± 1.0 | kcal/mol | TD-HFC | Connor, Skinner, et al., 1972 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS |
By formula: (CHO+ • 14CO) + CO = (CHO+ • 15CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.76 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Hiraoka and Mori, 1989 | gas phase; Entropy change calculated or estimated; M |
(solution) +
(solution) = C11H10CrO (solution)
By formula: C10H10Cr (solution) + CO (solution) = C11H10CrO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -18.8 ± 0.50 | kcal/mol | EqS | Wong and Brintzinger, 1975 | solvent: Toluene; Temperature range: 280-308 K; MS |
By formula: C6CrO6 (cr) = 6CO (g) + Cr (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63.6 ± 1. | kcal/mol | TD-HFC | Al-Takhin, Connor, et al., 1984, 2 | MS |
ΔrH° | 75.3 ± 0.2 | kcal/mol | TD-HZC | Pittam, Pilcher, et al., 1975 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS |
ΔrH° | 64.4 ± 1.1 | kcal/mol | TD-HFC | Connor, Skinner, et al., 1972 | MS |
2 (solution) = C12Co4O12 (solution) + 4
(solution)
By formula: 2C8Co2O8 (solution) = C12Co4O12 (solution) + 4CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.49 ± 0.50 | kcal/mol | EqS | Bor and Dietler, 1980 | solvent: Hexane; Temperature range: 378-418 K; MS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to CO+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 14.014 ± 0.0003 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 142. | kcal/mol | N/A | Hunter and Lias, 1998 | at C; HL |
Proton affinity (review) | 101.9 | kcal/mol | N/A | Hunter and Lias, 1998 | at O; HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 134.5 | kcal/mol | N/A | Hunter and Lias, 1998 | at C; HL |
Gas basicity | 96.13 | kcal/mol | N/A | Hunter and Lias, 1998 | at O; HL |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | 296.7 | kcal/mol | N/A | N/A | |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH(+) ion,0K | 296.0 | kcal/mol | N/A | N/A |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.32608 | R-A | Refaey and Franklin, 1976 | G3MP2B3 calculations indicate an EA of ca.-1.6 eV, anion unbound; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
14.0142 ± 0.0003 | LS | Erman, Karawajczyk, et al., 1993 | LL |
14.1 | PE | Kimura, Katsumata, et al., 1981 | LLK |
14.014 | S | Fock, Gurtler, et al., 1980 | LLK |
14.07 ± 0.05 | EI | Hille and Mark, 1978 | LLK |
14.0 | PI | Rabalais, Debies, et al., 1974 | LLK |
14.01 | PE | Natalis, 1973 | LLK |
14.0139 | S | Ogawa and Ogawa, 1972 | LLK |
14.01 | PE | Hotop and Niehaus, 1970 | RDSH |
14.01 | PE | Collin and Natalis, 1969 | RDSH |
14.00 | PE | Turner and May, 1966 | RDSH |
14.013 ± 0.004 | S | Krupenie, 1966 | RDSH |
13.985 | PI | Cook, Metzger, et al., 1965 | RDSH |
14.01 | PE | Potts and Williams, 1974 | Vertical value; LLK |
14.01 | PE | Katrib, Debies, et al., 1973 | Vertical value; LLK |
14.0 | PE | Thomas, 1970 | Vertical value; RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C+ | 20.94 ± 0.02 | O- | PI | Oertel, Schenk, et al., 1980 | LLK |
C+ | 20.89 | O-(2P) | EI | Smyth, Schiavone, et al., 1974 | LLK |
C+ | 20.88 ± 0.02 | O- | EI | Locht and Momigny, 1971 | LLK |
C+ | 22.45 ± 0.10 | O | EI | Hierl and Franklin, 1967 | RDSH |
C+ | 20.82 ± 0.05 | O- | EI | Hierl and Franklin, 1967 | RDSH |
C+ | 22.57 ± 0.20 | O | EI | Fineman and Petrocelli, 1961 | RDSH |
C+ | 20.89 ± 0.09 | O- | EI | Fineman and Petrocelli, 1961 | RDSH |
CO+ | 19.5 ± 0.2 | O-? | PI | Weissler, Samson, et al., 1959 | RDSH |
O+ | 23.44 | C- | EI | Smyth, Schiavone, et al., 1974 | LLK |
O+ | 23.20 ± 0.05 | C- | EI | Hierl and Franklin, 1967 | RDSH |
O+ | 24.65 ± 0.05 | C | EI | Hierl and Franklin, 1967 | RDSH |
O+ | 23.41 ± 0.17 | C- | EI | Fineman and Petrocelli, 1961 | RDSH |
O+ | 24.78 ± 0.23 | C | EI | Fineman and Petrocelli, 1961 | RDSH |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Constants of diatomic molecules, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 19 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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 compiled by: Klaus P. Huber and Gerhard H. Herzberg
Data collected through October, 1976
Symbol | Meaning |
---|---|
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) |
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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) 4 | Ogawa and Ogawa's series IV (joining on to R) | |||||||||||
ν = 158664 - R/(n-0.19)2; n = 3,4,...,10. | ||||||||||||
↳missing citation | ||||||||||||
(npσ,π) 5 | Tanaka'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) 7 | Ogawa 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 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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: | ||||||||||||
npπ | Ogawa and Ogawa's series11 (joining on to E, L) | |||||||||||
νinf = 113029; formula not given, merging into npσ above n=8. | ||||||||||||
↳missing citation | ||||||||||||
npσ | Ogawa 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 | ||||||||||||
nsσ | Lindholm's series (joining on to B, J, I') | |||||||||||
νinf = 113029; formula not given, n=3,4,...,10. | ||||||||||||
↳missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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. | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | |||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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
1 | Preceding 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. |
2 | Dissociation produced by absorption in these bands and subsequent atomic fluorescence Lee, Carlson, et al., 1975; predissociation into C+ + O- Locht and Durer, 1975. |
3 | Calcu1ated 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. |
4 | Tanaka's diffuse series (joining on to D2, D3) |
5 | Ogawa and Ogawa's series III (joining on to T6) |
6 | The 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. |
7 | ν = 158664 - R/(n-0.902-0.232/n)2; n = 4,5,...,18. |
8 | Diffuse looking bands. |
9 | Preionization observed in electro-ionization of CO Carbonneau and Marmet, 1973. |
10 | Absorption and photoionization coefficients from 1000 to 600 Å Cook, Metzger, et al., 1965. |
11 | These 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. |
12 | This strong absorption band is clearly present but not assigned on the spectrogram of Ogawa and Ogawa, 1972. |
13 | An absorption band at this wavenumber is visible but not identified on the published spectrogram of Ogawa and Ogawa, 1972. |
14 | This 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). |
15 | Previously called G [see missing citation]. The present G 1Π is from Ogawa and Ogawa, 1974. |
16 | v=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. |
18 | B1 = 1.837, D1 = 3E-6. |
19 | Clear 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. |
20 | The 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. |
21 | Oscillator strength f00 = 0.094 Lassettre and Skerbele, 1971. |
22 | Λ-type doubling, Δν = 0.011N(N+1). Triplet splitting unobservably small as for most Rydberg states. |
23 | H0 = -1.9E-7. The rotational constants represent average values for the two Λ-doubling components. |
24 | Only 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. |
25 | μel = 4.5 D Fisher and Dalby, 1976, from Stark effect observations on the Herzberg bands Fisher and Dalby, 1976. |
26 | Lifetime 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. |
28 | Osci1lator strength f00 = 0.163 Lassettre and Skerbele, 1971. |
29 | Rotational lines are diffuse because of predissociation. |
30 | In 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. |
31 | single 0-v" progression. |
32 | Only two vibrational levels observed, ΔG(1/2) = 2082.26. ωe, ωexe derived with the aid of isotope data Tilford and Vanderslice, 1968. |
33 | A 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. |
34 | Lifetime 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. |
35 | Franck-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. |
36 | Oscillator strength f00 = 0.0153 Lassettre and Skerbele, 1971. Discussion of the r-dependence of the transition moment Imhof, Read, et al., 1972. |
37 | This 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. |
38 | Only 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. |
39 | Lifetimes 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. |
40 | Franck-Condon factors missing citation. |
41 | This 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. |
42 | Extrapo1ated, only v'=1, 6, 21 observed. |
43 | ωexe= +0.0554(v+1/2)3- ...; for higher order coefficients see Tilford and Simmons, 1972. |
44 | RKR potential Tilford and Simmons, 1972. |
45 | αv= +0.000291(v+1/2)2 - + ...; for higher order coefficients see Tilford and Simmons, 1972. Revised coefficients from deperturbed Bv values in Field, 1971. |
46 | missing note |
47 | Numerous 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. |
48 | αv= +0.00159(v+1/2)2 - + ...; higher order coefficients in Tilford and Simmons, 1972, revised coefficients from deperturbed B values in Field, 1971. |
49 | Calculated value, βe = +0.10E-6; see Field, Wicke, et al., 1972. |
50 | Lifetimes 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. |
51 | Oscillator 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. |
52 | See Shvangiradze, Oganezov, et al., 1960, Rytel and Siwiec, 1973 for spectroscopic data on 13CO and C18O. |
53 | This 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. |
54 | ωexe= +0.1174(v+1/2)3- + ... Tilford and Simmons, 1972; from Tilford and Simmons, 1972, see also Field, 1971. |
55 | Spin-splitting constant λ0= +0.51; for its dependence on v see Field, 1971, Field and Lefebvre-Brion, 1974. RKR potential Tilford and Simmons, 1972. |
56 | αv= +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. |
57 | Calculated value, see Field, 1971. |
58 | Intensity 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. |
59 | Av = -16.005 - 0.113(v+1/2) - 0.00357(v+1/2)2 Field, 1971. |
60 | ωexe= +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. |
61 | RKR potential Tilford and Simmons, 1972. |
62 | αv= +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. |
63 | Lifetime strongly dependent on J and Ω because of perturbations by A 1Π Slanger and Black, 1973. |
64 | ωexe= +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. |
65 | Spin-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. |
66 | αv= +0.000345(v+1/2)2 - + ... Tilford and Simmons, 1972; revised coefficients from deperturbed Bv values in Field, 1971. |
67 | Lifetime τ= 3.7 to 2.9 μs; v=5 to 8 Hartfuss and Schmillen, 1968. |
68 | Franck-Condon factors Halmann and Laulicht, 1966, missing citation. |
69 | Av =+ 41.53 - 0.14(v+1/2) - 0.009(v+1/2)2; AJ(v=0) = -0.000206. |
70 | ωexe= -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. |
71 | Very 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. |
72 | αv= -0.000041(v+1/2)2; see β. |
73 | Calculated value, βe = +0.04E-6 Field, Tilford, et al., 1972, Field, Wicke, et al., 1972. |
74 | Lifetime 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. |
75 | missing note |
76 | ωexe= +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. |
77 | RKR potential functions Mantz, Watson, et al., 1971, Dickinson, 1972, Fleming and Rao, 1972. |
78 | αv= +5.487E-7(v+1/2)2 + 2.54E-8(v+1/2)3 Mantz and Maillard, 1975. |
79 | Dv= -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. |
80 | From 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. |
81 | Rot.-vibr. sp. 96, 97: |
82 | Δv=2 sequence up to 33-31 in chemiluninescence Schwartz and Thrush, 1969 and flames Mantz and Maillard, 1974. |
83 | Δv=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. |
84 | Line 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. |
85 | μel(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. |
86 | gJ = -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. |
87 | From 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. |
88 | From 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. |
89 | Absorption and photoionization coefficients from 1000 to 600 Å Cook, Metzger, et al., 1965. |
90 | Calcu1ated 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. |
91 | cf. Ogawa and Ogawa's Rydberg series converging to A 2Π1/2. |
92 | The b→a bands with v'=1 were previously called "5B" bands Asundi, 1929. |
93 | Lifetime of this state (and/or D 1Δ) 97 ± 15 μs Wells, Borst, et al., 1973. |
94 | ωexe= +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. |
95 | Franck-Condon factors Halmann and Laulicht, 1966, missing citation. |
96 | For data on 13C16O, 12C18O, 13C18O see Johns, McKellar, et al., 1974, Chen, Rao, et al., 1976. |
97 | Intensities 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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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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Watson, J.K.G.,
The isotope dependence of the equilibrium rotational constants in 1Σ states of diatomic molecules,
J. Mol. Spectrosc., 1973, 45, 99. [all data]
Schwartz and Thrush, 1969
Schwartz, S.E.; Thrush, B.A.,
Energies of vibrational levels 22 to 33 of carbon monoxide X1Σg+,
J. Mol. Spectrosc., 1969, 32, 343. [all data]
Mantz, Nichols, et al., 1970
Mantz, A.W.; Nichols, E.R.; Alpert, B.D.; Rao, K.N.,
CO laser spectra studied with a 10-meter vacuum infrared grating spectrograph,
J. Mol. Spectrosc., 1970, 35, 325. [all data]
Yardley, 1970
Yardley, J.T.,
Laser action in highly-excited vibrational levels of CO,
J. Mol. Spectrosc., 1970, 35, 314. [all data]
Kildal, Eng, et al., 1974
Kildal, H.; Eng, R.S.; Ross, A.H.M.,
Heterodyne measurements of 12C16O laser frequencies and improved Dunham coefficients,
J. Mol. Spectrosc., 1974, 53, 479. [all data]
Millikan, 1963
Millikan, R.C.,
Vibrational fluorescence of carbon monoxide,
J. Chem. Phys., 1963, 38, 2855. [all data]
McCaa and Williams, 1964
McCaa, D.J.; Williams, D.,
Infrared fluorescence of carbon monoxide,
J. Opt. Soc. Am., 1964, 54, 326. [all data]
Dowling, 1969
Dowling, J.M.,
Line widths in the pure rotational spectrum of carbon monoxide,
J. Quant. Spectrosc. Radiat. Transfer, 1969, 9, 1613. [all data]
Sanderson, Scott, et al., 1971
Sanderson, R.B.; Scott, H.E.; White, J.T.,
Strengths and widths of the pure rotational lines of CO,
J. Mol. Spectrosc., 1971, 38, 252. [all data]
Buontempo, Cunsolo, et al., 1973
Buontempo, U.; Cunsolo, S.; Jacucci, G.,
Electric quadrupole moment of CO and molecular torque in liquid Ar and N2 from ir spectra,
J. Chem. Phys., 1973, 59, 3750. [all data]
Billingsley and Krauss, 1974
Billingsley, F.P., II; Krauss, M.,
Quadrupole moment of CO, N2, and NO+,
J. Chem. Phys., 1974, 60, 2767. [all data]
Toth, Hunt, et al., 1969
Toth, R.A.; Hunt, R.H.; Plyler, E.K.,
Line intensities in the 3-0 of the CO and dipole moment matrix elements for the CO molecule,
J. Mol. Spectrosc., 1969, 32, 85. [all data]
Siegbahn, Nordling, et al., 1969
Siegbahn, K.; Nordling, C.; Johansson, G.; Hedman, J.; Heden, P.F.; Hamrin, k.; Gelius, U.; Bergmark, T.; Werme, L.O.; Manne, R.; Baer,
ESCA Applied to Free Molecules, North-Holland Publishing Company, Amsterdam, 1969, 0. [all data]
Smith and Thomas, 1976
Smith, S.R.; Thomas, T.D.,
Core ionization potentials in carbon monoxide,
J. Electron Spectrosc. Relat. Phenom., 1976, 8, 45. [all data]
Wells, Borst, et al., 1973
Wells, W.C.; Borst, W.L.; Zipf, E.C.,
Excitation of higher-lying metastable states in carbon monoxide by electron impact: cross-section and lifetime measurements,
Phys. Rev. A: Gen. Phys., 1973, 8, 2463. [all data]
Johns, McKellar, et al., 1974
Johns, J.W.C.; McKellar, A.R.W.; Weitz, D.,
Wavelength measurements of 13C16O laser transitions,
J. Mol. Spectrosc., 1974, 51, 539. [all data]
Chen, Rao, et al., 1976
Chen, D.-W.; Rao, K.N.; McDowell, R.S.,
Fundamental and overtone bands of isotopic species of carbon monoxide,
J. Mol. Spectrosc., 1976, 61, 71. [all data]
Young and Eachus, 1966
Young, L.A.; Eachus, W.J.,
Dipole moment function and vibration-rotation matrix elements for CO,
J. Chem. Phys., 1966, 44, 4195. [all data]
Moskalenko and Mirumyants, 1971
Moskalenko, N.I.; Mirumyants, S.O.,
Measurement of the integral intensities of infrared absorption bands of H2O, CO2, N2O, CO, CH4, and NO vapor in the temperature range 220-400°K,
Sov. Phys. J. Engl. Transl., 1971, 6, 721, In original 7. [all data]
Roux, Effantin, et al., 1972
Roux, F.; Effantin, C.; D'Incan, J.,
Forces d'oscillateur absolues de rotation dans les transitions 2-0, 3-1, 4-2, 5-3, du spectre de vibration-rotation de la molecule CO, deduites de mesures d'intensites en emission,
J. Quant. Spectrosc. Radiat. Transfer, 1972, 12, 97-106. [all data]
Billingsley and Krauss, 1974, 2
Billingsley, F.P., II; Krauss, M.,
Multiconfiguration self-consistent-field calculation of the dipole moment function of CO(X1Σ+),
J. Chem. Phys., 1974, 60, 4130. [all data]
Bouanich and Brodbeck, 1974, 2
Bouanich, J.-P.; Brodbeck, C.,
Moments de transition vibrationnelle des molecules diatomiques. Intensite des raies rovibrationnelles des bandes 0 → 2 et 0 → 3 et fonction dipolaire de CO,
J. Quant. Spectrosc. Radiat. Transfer, 1974, 14, 1199. [all data]
Varanasi and Sarangi, 1975
Varanasi, P.; Sarangi, S.,
Measurements of intensities and nitrogen-broadened linewidths in the CO fundamental at low temperatures,
J. Quant. Spectrosc. Radiat. Transfer, 1975, 15, 473. [all data]
Tipping, 1976
Tipping, R.H.,
Vibration-rotation intensities for "hot" bands,
J. Mol. Spectrosc., 1976, 61, 272-281. [all data]
Weisbach and Chackerian, 1973
Weisbach, M.F.; Chackerian, C., Jr.,
Linewidths and transition probabilities for the carbon monoxide laser lines,
J. Chem. Phys., 1973, 59, 4272. [all data]
Hunt, Toth, et al., 1968
Hunt, R.H.; Toth, R.A.; Plyler, E.K.,
High-resolution determination of the widths of self-broadened lines of carbon monoxide,
J. Chem. Phys., 1968, 49, 3909. [all data]
Hoover and Williams, 1969
Hoover, G.M.; Williams, D.,
Infrared absorptance of carbon monoxide at low temperatures,
J. Opt. Soc. Am., 1969, 59, 28. [all data]
Bouanich, Larvor, et al., 1969
Bouanich, P.; Larvor, M.; Haeusler, C.,
Etude des raies de vibration-rotation de la bande v0→3 de l'oxyde de carbone CO comprime,
C.R. Acad. Sci. Paris, Ser. B, 1969, 269, 1238. [all data]
Varanasi, 1975
Varanasi, P.,
Measurement of line widths of CO of planetary interest at low temperatures,
J. Quant. Spectrosc. Radiat. Transfer, 1975, 15, 191. [all data]
Moskalenko, 1975
Moskalenko, N.I.,
Measurement of intensities and halfwidths of spectral absorption lines of the fundamental 0-1 band of CO,
Opt. Spectrosc. Engl. Transl., 1975, 38, 382, In original 676. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Constants of diatomic molecules, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy Pc Critical pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature Tboil Boiling point Tc Critical temperature Ttriple Triple point temperature ΔfH(+) ion,0K Enthalpy of formation of positive ion at 0K ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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