Carbon monoxide

Formula: CO
Molecular weight: 28.0101
IUPAC Standard InChI: InChI=1S/CO/c1-2
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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Other data available:
- Gas phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 150, reactions 151 to 200, reactions 201 to 249
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- Gas phase ion energetics data
- Ion clustering data
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- Mass spectrum (electron ionization)
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Reaction thermochemistry data

Go To: Top, Constants of diatomic molecules, References, Notes

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

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Reactions 1 to 50

(solution) + (solution) = C₁₄H₂₁MnO₂ (solution) + Carbon monoxide (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	47. ± 2.	kcal/mol	AVG	N/A	Average of 18 values; Individual data points

(solution) + (solution) = C₁₂H₁₆CrO₅ (solution) + Carbon monoxide (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	27.1 ± 0.8	kcal/mol	AVG	N/A	Average of 13 values; Individual data points

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rH°	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) + Carbon monoxide (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rH°	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) + Carbon monoxide (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rH°	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) + Carbon monoxide (solution) = (g) + (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-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
Δ_rH°	-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) + Carbon monoxide (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rH°	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) + Carbon monoxide (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	34.9 ± 5.0	kcal/mol	KinG	Ganske and Rosenfeld, 1990	MS
Δ_rH°	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
Δ_rH°	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) + Carbon monoxide (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rH°	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) + Carbon monoxide (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	37.0 ± 5.0	kcal/mol	KinG	Fletcher and Rosenfeld, 1988	MS
Δ_rH°	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
Δ_rH°	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) + Carbon monoxide (solution) = (solution) + (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-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

CO⁺ + Carbon monoxide = (CO⁺ • )

By formula: CO⁺ + CO = (CO⁺ • CO)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.	kcal/mol	PIPECO	Norwood, Guo, et al., 1988	gas phase; CO+ in state B, Δ_rH>; M
Δ_rH°	22.4	kcal/mol	PI	Linn, Ono, et al., 1981	gas phase; M
Δ_rH°	28. ± 7.	kcal/mol	EI	Munson and Franlin, 1962	gas phase; from IP'switching reaction and heats of formation; M
Δ_rH°	25.4	kcal/mol	PHPMS	Meot-Ner (Mautner) and Field, 1974	gas phase; Δ_rH>, DG>; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Field, 1974	gas phase; Δ_rH>, DG>; M

Free energy of reaction

Δ_rG° (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; Δ_rH>, DG>; M

(cr) = 6 Carbon monoxide (g) + (cr)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rH°	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 Carbon monoxide (solution) = 3C₅O₅Ru (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-3.11 ± 0.26	kcal/mol	EqS	Koelliker and Bor, 1991	solvent: Isooctane; Temperature range: 373-448 K; MS
Δ_rH°	-6.48 ± 0.45	kcal/mol	EqS	Bor, 1986	solvent: n-Hexane; Temperature range: ca. 348-448 K; MS

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	22.2	kcal/mol	KinS	Ungváry and Markó, 1974	solvent: Heptane; Temperature range: 298-328 K; MS
Δ_rH°	21.0	kcal/mol	KinS	Ungváry, 1972	solvent: Heptane; Temperature range: 307-337 K; MS

(cr) + (l) = C₁₀H₅NO₅W (cr) + Carbon monoxide (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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

+ Carbon monoxide = ( • )

By formula: CHO⁺ + CO = (CHO⁺ • CO)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.8	kcal/mol	PHPMS	Jennings, Headley, et al., 1982	gas phase; M
Δ_rH°	12.8	kcal/mol	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; M
Δ_rH°	11.7	kcal/mol	PHPMS	Meot-Ner (Mautner) and Field, 1974	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.5	cal/mol*K	PHPMS	Jennings, Headley, et al., 1982	gas phase; M
Δ_rS°	24.	cal/mol*K	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; M
Δ_rS°	20.9	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Field, 1974	gas phase; M

+ Carbon monoxide = ( • )

By formula: Co⁺ + CO = (Co⁺ • CO)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	41.6 ± 1.7	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD
Δ_rH°	39. ± 3.	kcal/mol	MKER	Carpenter, van Koppen, et al., 1995	gas phase; M

Enthalpy of reaction

Δ_rH° (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) + Carbon monoxide (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rH°	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

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	36.7 ± 3.5	kcal/mol	FA-SIFT	Sunderlin, Wang, et al., 1992	MS
Δ_rH°	>27.0	kcal/mol	N/A	Venkataraman, Bandukwalla, et al., 1989	Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δ_rH°	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

(g) = 4 Carbon monoxide (g) + (cr)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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

+ Carbon monoxide = ( • )

By formula: Ni⁺ + CO = (Ni⁺ • CO)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39. ± 3.	kcal/mol	MKER	Carpenter, van Koppen, et al., 1995	gas phase; determined from MKER and theory; M

Enthalpy of reaction

Δ_rH° (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

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	29.0 ± 5.8	kcal/mol	FA-SIFT	Sunderlin, Wang, et al., 1992	MS
Δ_rH°	25.1	kcal/mol	N/A	Venkataraman, Bandukwalla, et al., 1989	Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δ_rH°	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) = Carbon monoxide (g) + (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.4 ± 3.5	kcal/mol	FA-SIFT	Sunderlin, Wang, et al., 1992	MS
Δ_rH°	<39.0	kcal/mol	N/A	Venkataraman, Bandukwalla, et al., 1989	Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δ_rH°	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

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	28.0 ± 8.6	kcal/mol	FA-SIFT	Sunderlin, Wang, et al., 1992	MS
Δ_rH°	10.	kcal/mol	N/A	Venkataraman, Bandukwalla, et al., 1989	Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δ_rH°	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) + Carbon monoxide (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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 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
Δ_rH°	34.7 ± 9.6	kcal/mol	N/A	Nakajima, Taguwa, et al., 1994	gas phase; Vertical Detachment Energy: 3.02±0.13 eV; B
Δ_rH°	36. ± 12.	kcal/mol	N/A	Engelking and Lineberger, 1979	gas phase; B
Δ_rH°	41.7 ± 2.5	kcal/mol	CIDT	Sunderlin, Wang, et al., 1992	gas phase; Affinity: CO..Fe(CO)3-; B

= + Carbon monoxide

By formula: C₁₅H₁₀O = C₁₄H₁₀ + CO

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-6.7 ± 1.2	kcal/mol	Cpha	Hung and Grabowski, 1992	liquid phase; solvent: Alkane; ALS
Δ_rH°	4.2 ± 2.5	kcal/mol	Cpha	Herman and Goodman, 1989	solid phase; solvent: Acetonitrile/water; ALS
Δ_rH°	-9.9 ± 2.9	kcal/mol	Cpha	Grabowski, Simon, et al., 1984	liquid phase; solvent: Benzene; ALS

( • 2 Carbon monoxide ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	4.7 ± 0.3	kcal/mol	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Δ_rH°	6.3	kcal/mol	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	15.8	cal/mol*K	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Δ_rS°	26.	cal/mol*K	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; M

( • 3 Carbon monoxide ) + = ( • 4)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	4.5 ± 0.3	kcal/mol	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Δ_rH°	6.2	kcal/mol	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.2	cal/mol*K	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Δ_rS°	29.	cal/mol*K	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; M

( • 4 Carbon monoxide ) + = ( • 5)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	4.2 ± 0.3	kcal/mol	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Δ_rH°	5.8	kcal/mol	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.9	cal/mol*K	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Δ_rS°	32.	cal/mol*K	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; M

( • Carbon monoxide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	4.9 ± 0.3	kcal/mol	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Δ_rH°	6.6	kcal/mol	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	15.0	cal/mol*K	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Δ_rS°	24.	cal/mol*K	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	40.6 ± 5.8	kcal/mol	FA-SIFT	Sunderlin, Wang, et al., 1992	MS
Δ_rH°	25.8	kcal/mol	N/A	McQuaid, Morris, et al., 1988	Method: Chemiluminescence spectroscopy.; MS
Δ_rH°	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

( • Carbon monoxide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	36.6 ± 2.2	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

Enthalpy of reaction

Δ_rH° (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

+ Carbon monoxide = ( • )

By formula: Fe⁺ + CO = (Fe⁺ • CO)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	30.8 ± 1.0	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD
Δ_rH°	32. ± 3.	kcal/mol	MKER	Carpenter, van Koppen, et al., 1995	gas phase; determined from MKER and theory; M

Enthalpy of reaction

Δ_rH° (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) + Carbon monoxide (solution) = (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-13.4 ± 1.0	kcal/mol	RSC	Nolan, López de la Vega, et al., 1986	solvent: Tetrahydrofuran; MS
Δ_rH°	-12.6	kcal/mol	EqS	Calderazzo, 1977	solvent: 2,2'-diethoxydiethyl ether; MS

(g) = 0.5 (g) + 4 Carbon monoxide (g) + (cr)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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

( • Carbon monoxide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	5.7 ± 0.7	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD
Δ_rH°	5.7 ± 0.7	kcal/mol	CIDT	Walter, Sievers, et al., 1998	RCD
Δ_rH°	7.5	kcal/mol	HPMS	Castleman, Peterson, et al., 1983	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	15.1	cal/mol*K	HPMS	Castleman, Peterson, et al., 1983	gas phase; M

(solution) + (solution) = C₁₀H₅NO₅W (solution) + Carbon monoxide (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.55 ± 0.69	kcal/mol	PC	Nakashima and Adamson, 1982	solvent: Cyclohexane; MS
Δ_rH°	5.95 ± 0.69	kcal/mol	PC	Nakashima and Adamson, 1982	solvent: Benzene; MS
Δ_rH°	4.40 ± 0.1	kcal/mol	PC	Nakashima and Adamson, 1982	solvent: Tetrahydrofuran; MS

+ Carbon monoxide = ( • )

By formula: Na⁺ + CO = (Na⁺ • CO)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.6 ± 1.9	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD
Δ_rH°	7.6 ± 1.9	kcal/mol	CIDT	Walter, Sievers, et al., 1998	RCD
Δ_rH°	12.6	kcal/mol	HPMS	Castleman, Peterson, et al., 1983	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.4	cal/mol*K	HPMS	Castleman, Peterson, et al., 1983	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rS°	24.5	cal/mol*K	PHPMS	Hiraoka and Mori, 1991	gas phase; two isomers, at low and high temperatures; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rS°	19.1	cal/mol*K	PHPMS	Hiraoka and Mori, 1991	gas 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
Δ_rH°	-5.9 ± 1.5	kcal/mol	EqS	Moloy and Marks, 1984	solvent: 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
Δ_rH°	-4.49 ± 0.91	kcal/mol	EqS	Moloy and Marks, 1984	solvent: Toluene; Temperature range: ca. 180-220 K; MS

(cr) = 6 Carbon monoxide (g) + (cr)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rH°	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

( • 14 Carbon monoxide ) + = ( • 15)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.76	kcal/mol	PHPMS	Hiraoka and Mori, 1989	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	N/A	Hiraoka and Mori, 1989	gas phase; Entropy change calculated or estimated; M

(solution) + Carbon monoxide (solution) = C₁₁H₁₀CrO (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-18.8 ± 0.50	kcal/mol	EqS	Wong and Brintzinger, 1975	solvent: Toluene; Temperature range: 280-308 K; MS

(cr) = 6 Carbon monoxide (g) + (cr)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	63.6 ± 1.	kcal/mol	TD-HFC	Al-Takhin, Connor, et al., 1984, 2	MS
Δ_rH°	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
Δ_rH°	64.4 ± 1.1	kcal/mol	TD-HFC	Connor, Skinner, et al., 1972	MS

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	29.49 ± 0.50	kcal/mol	EqS	Bor and Dietler, 1980	solvent: Hexane; Temperature range: 378-418 K; MS

Constants of diatomic molecules

Go To: Top, Reaction thermochemistry data, References, Notes

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through October, 1976

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	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
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	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.
(npσ)	↳missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
D₃	(153271)	(1705)	(18.5)								D₃ ← X 8	153037
D₃	↳missing citation; missing citation
U	(153199)	[1676]									U ← X	152955
U	↳missing citation
D₂	(149294)	(1730)	(30)								D₂ ← X 8	149070
D₂	↳missing citation; missing citation
S₂	(148929)	(1750)	(30)								S₂ ← X	148715
S₂	↳missing citation; missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
T	(147065)	(1658)	(11)		9						T ← X	146810
T	↳missing citation
R	(144939)	(1735)	(28)		9						R ← X	144718
R	↳missing citation
S₁	(138038)	(1771)	(29)		9						S₁ ← X	137835
S₁	↳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 ²Π_1/2) - R/(n-1.077)²; n = 4,5,...,12.
	↳missing citation
(npσ,π)	Tanaka's alpha series (joining on to P)
	ν = 133380(A ²Π_3/2) - R/(n-0.67)²; n = 4,5,...,8.
	↳missing citation; missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
Q	129043	1558	10.6		9						Q ← X 10 R	128738
Q	↳Tanaka, 1942
O₂ (¹Π)	126729	1560	13.3								O₂ ← X R	126424
O₂ (¹Π)	↳missing citation; missing citation
P	123656	[1521]									P ← X R	123335
P	↳missing citation; missing citation
O₁ (¹Π)	121137	1570	13.4		9						O₁ ← X R	120837
O₁ (¹Π)	↳Henning, 1932; missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
N	(119882)	(1600)									N ← X 10	(119600)
N	↳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)
	ν_inf = 113029; formula not given, merging into npσ above n=8.
	↳missing citation
npσ	Ogawa and Ogawa's series11 (joining on to C, K)
	ν_inf = 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')
	ν_inf = 113029; formula not given, n=3,4,...,10.
	↳missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
I' (5sσ)											I' ← X	106383 12
I' (5sσ)	↳missing citation; Lindholm, 1969
Z ¹Σ⁺					[(1.9)]					[(1.14)]	Z ↔ X 10 R	(105724) 13 (Z)
Z ¹Σ⁺	↳Tilford and Simmons, 1974
H15 (¹Π)	(105811)	(1097)	(47)								H ← X 10 14 R	105266
H15 (¹Π)	↳Hopfield and Birge, 1927
H' ¹Π					[1.415]					[1.318]	H' ← X R	104119.6 Z
H' ¹Π	↳Ogawa and Ogawa, 1974
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
L ¹Π 4pπ	103251	2181 Z	(15)		[1.9812]			[0.000014]		[1.114]	L ← X V	103271.5 Z
L ¹Π 4pπ	↳missing citation; Ogawa and Ogawa, 1974
L' (¹Π)											L' ← X R	103215 HQ
L' (¹Π)	↳Ogawa and Ogawa, 1974
K ¹Σ⁺ 4pσ					[1.9189]			[0.000066]		[1.132]	K ← X R	103054.₃ Z
K ¹Σ⁺ 4pσ	↳missing citation; Ogawa and Ogawa, 1974
W ¹Π					[1.5585]			[0.000065]		[1.256]	W ↔ X R	102807.1 Z
W ¹Π	↳Ogawa and Ogawa, 1974; Tilford and Simmons, 1974
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
W' ¹Π					[1.536]					[1.265]	W' ← X R	102310.6 Z
W' ¹Π	↳missing citation
J ¹Σ⁺ 4sσ	(101409)	[2235.3] Z	(15)		[1.9203] 16			[0.0000058] 16		[1.1315] 16	J ← X R	(101456) (Z)
J ¹Σ⁺ 4sσ	↳missing citation
G ¹Π(3dπ)					[1.9625]			[0.000007]		[1.1193]	G ← X V	101031 Z
G ¹Π(3dπ)	↳missing citation
G' ¹Π					[(1.59)]					[1.24]	G' ← X R	100651
G' ¹Π	↳missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
h (³Σ⁺,4sσ)											h ← X R	(100392) (Z)
h (³Σ⁺,4sσ)	↳Ogawa and Ogawa, 1974
Y ¹Σ⁺					[(1.83)]					[1.16]	Y → X R	(99963) (Z)
Y ¹Σ⁺	↳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
F ¹Σ⁺(3dσ)	↳missing citation
V ¹Π					[1.7]					[1.2]	V ↔ → X R	98919 HQ
V ¹Π	↳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	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
g ³Σ⁺											g ← X R	(98129.₁) (Z)
g ³Σ⁺	↳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	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	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
j (³Σ⁺3pσ)	↳Tilford and Vanderslice, 1968
											30
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
k	[90972] 31										k → a V	41417 H
k	↳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	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
D ¹Δ	65928	1094	10.2		1.257	0.017				1.399	D ← X R	65391 42
D ¹Δ	↳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
I ¹Σ^-	↳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
A ¹Π	↳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	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
d ³Δ_i	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	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
a ³Π_r	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
a ³Π_r	↳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

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 ls_C 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.

Dissociation produced by absorption in these bands and subsequent atomic fluorescence Lee, Carlson, et al., 1975; predissociation into C⁺ + O^- Locht and Durer, 1975.

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.

Tanaka's diffuse series (joining on to D₂, D₃)

Ogawa and Ogawa's series III (joining on to T6)

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.

ν = 158664 - R/(n-0.902-0.232/n)²; n = 4,5,...,18.

Diffuse looking bands.

Preionization observed in electro-ionization of CO Carbonneau and Marmet, 1973.

Absorption and photoionization coefficients from 1000 to 600 Å Cook, Metzger, et al., 1965.

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.

This strong absorption band is clearly present but not assigned on the spectrogram of Ogawa and Ogawa, 1972.

An absorption band at this wavenumber is visible but not identified on the published spectrogram of Ogawa and Ogawa, 1972.

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).

Previously called G [see missing citation]. The present G ¹Π is from Ogawa and Ogawa, 1974.

v=0 diffuse by predissociation, v=1 sharp. The rotational constants are for v=1 Ogawa and Ogawa, 1974.

Jevons, 1932 gives ω_e = 2112 Jevons, 1932, ω_ex_e = 198 Jevons, 1932, presumably from private communication by Hopfield-Birge.

B₁ = 1.837, D₁ = 3E-6.

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.

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.

Oscillator strength f₀₀ = 0.094 Lassettre and Skerbele, 1971.

Λ-type doubling, Δν = 0.011N(N+1). Triplet splitting unobservably small as for most Rydberg states.

H₀ = -1.9E-7. The rotational constants represent average values for the two Λ-doubling components.

Only v=0 and 1 observed in absorption, only v=0 in emission. ω_e, ω_ex_e derived with the aid of isotope (¹²,¹³CO) data, see Tilford and Vanderslice, 1968.

μ_el = 4.5 D Fisher and Dalby, 1976, from Stark effect observations on the Herzberg bands Fisher and Dalby, 1976.

Lifetime τ(v=0) = 1.5 ns Hesser, 1968, Dotchin and Chupp, 1973; electronic branching ratios Dotchin and Chupp, 1973.

Kepa, 1969 and Asundi, Dhumwad, et al., 1970 have studied the bands of the isotopic molecules ¹³C¹⁶O and ¹²C¹⁸O.

Osci1lator strength f₀₀ = 0.16₃ Lassettre and Skerbele, 1971.

Rotational lines are diffuse because of predissociation.

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.

single 0-v" progression.

Only two vibrational levels observed, ΔG(1/2) = 2082.26. ω_e, ω_ex_e derived with the aid of isotope data Tilford and Vanderslice, 1968.

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. μ_el = 1.6₀ D Fisher and Dalby, 1976 from Stark effect measurements on the Å bands Fisher and Dalby, 1976.

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.

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.

Oscillator strength f₀₀ = 0.015₃ Lassettre and Skerbele, 1971. Discussion of the r-dependence of the transition moment Imhof, Read, et al., 1972.

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 B_e and α_e 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.

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.

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.

Franck-Condon factors missing citation.

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.

Extrapo1ated, only v'=1, 6, 21 observed.

ω_ex_e= +0.055₄(v+1/2)³- ...; for higher order coefficients see Tilford and Simmons, 1972.

RKR potential Tilford and Simmons, 1972.

α_v= +0.00029₁(v+1/2)² - + ...; for higher order coefficients see Tilford and Simmons, 1972. Revised coefficients from deperturbed B_v values in Field, 1971.

missing note

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 T_v and B_v 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.

α_v= +0.00159(v+1/2)² - + ...; higher order coefficients in Tilford and Simmons, 1972, revised coefficients from deperturbed B values in Field, 1971.

Calculated value, β_e = +0.10E-6; see Field, Wicke, et al., 1972.

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.

Oscillator strength f_el = 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, f_el ~ 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.

See Shvangiradze, Oganezov, et al., 1960, Rytel and Siwiec, 1973 for spectroscopic data on ¹³CO and C¹⁸O.

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.

ω_ex_e= +0.117₄(v+1/2)³- + ... Tilford and Simmons, 1972; from Tilford and Simmons, 1972, see also Field, 1971.

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.

α_v= +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.

Calculated value, see Field, 1971.

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.

A_v = -16.00₅ - 0.113(v+1/2) - 0.0035₇(v+1/2)² Field, 1971.

ω_ex_e= +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.

RKR potential Tilford and Simmons, 1972.

α_v= +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 B_e = 1.3099 Carroll, 1962, α_e = 0.0167₇ Carroll, 1962 in good agreement with the first two of the expansion coefficients determined by Field, 1971.

Lifetime strongly dependent on J and Ω because of perturbations by A ¹Π Slanger and Black, 1973.

ω_ex_e= +0.0091(v+1/2)³ + 0.00259(v+1/2)⁴- + ... Tilford and Simmons, 1972. Revised coefficients from deperturbed T_v values in Field, 1971.

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 μ_el = 1.06D (-CO+), from the radiofrequency spectrum of a³Π; see Wicke, Field, et al., 1972, Wicke, Klemperer, et al., 1975. RKR potential Tilford and Simmons, 1972.

α_v= +0.00034₅(v+1/2)² - + ... Tilford and Simmons, 1972; revised coefficients from deperturbed B_v values in Field, 1971.

Lifetime τ= 3.7 to 2.9 μs; v=5 to 8 Hartfuss and Schmillen, 1968.

Franck-Condon factors Halmann and Laulicht, 1966, missing citation.

A_v =+ 41.53 - 0.14(v+1/2) - 0.009(v+1/2)²; A_J(v=0) = -0.000206.

ω_ex_e= -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.

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 μ_el(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.

α_v= -0.000041(v+1/2)²; see β.

Calculated value, β_e = +0.04E-6 Field, Tilford, et al., 1972, Field, Wicke, et al., 1972.

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.

missing note

ω_ex_e= +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.

RKR potential functions Mantz, Watson, et al., 1971, Dickinson, 1972, Fleming and Rao, 1972.

α_v= +5.487E-7(v+1/2)² + 2.5₄E-8(v+1/2)³ Mantz and Maillard, 1975.

D_v= -1.15₃E-9(v+1/2) + 1.80₅E-10(v+1/2)² Mantz and Maillard, 1975; H_v = [5.83 - 0.173₈(v+1/2)]E-12 Mantz and Maillard, 1975.

From the effective B_e value; the "true" B_e = 1.93160 Bunker, 1970 found by Bunker, 1970 after introducing adiabatic and non-adiabatic corrections (and using older data) leads to r_e = 1.12823 Å 469. See also Bunker, 1972, Watson, 1973.

Rot.-vibr. sp. 96, 97:

Δv=2 sequence up to 33-31 in chemiluninescence Schwartz and Thrush, 1969 and flames Mantz and Maillard, 1974.

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.

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 Q_m= -2.0E-26 esu cm².

μ_el(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 r_e Muenter, 1975.

g_J = -0.2689₀ μ_N Ozier, Yi, et al., 1967 for ¹²C¹⁶O Ozier, Yi, et al., 1967; g_J = -0.2569₁ μ_N Ozier, Crapo, et al., 1968 for ¹³C¹⁶O Ozier, Crapo, et al., 1968.

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.

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.

Absorption and photoionization coefficients from 1000 to 600 Å Cook, Metzger, et al., 1965.

cf. Ogawa and Ogawa's Rydberg series converging to A ²Π_1/2.

The b→a bands with v'=1 were previously called "5B" bands Asundi, 1929.

Lifetime of this state (and/or D ¹Δ) 97 ± 15 μs Wells, Borst, et al., 1973.

ω_ex_e= +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 T_v values [see Field, Wicke, et al., 1972] in Field, 1971.

Franck-Condon factors Halmann and Laulicht, 1966, missing citation.

For data on ¹³C¹⁶O, ¹²C¹⁸O, ¹³C¹⁸O see Johns, McKellar, et al., 1974, Chen, Rao, et al., 1976.

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, Reaction thermochemistry data, Constants of diatomic molecules, Notes

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Notes

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Symbols used in this document:

T Temperature

Δ_rG° Free energy of reaction at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions

Δ_rS° Entropy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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T	Temperature
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions