Carbon monoxide

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Gas phase thermochemistry data

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

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

Quantity Value Units Method Reference Comment
Δfgas-26.417 ± 0.041kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas-26.417kcal/molReviewChase, 1998Data last reviewed in September, 1965
Quantity Value Units Method Reference Comment
gas,1 bar47.2419 ± 0.001cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar47.242cal/mol*KReviewChase, 1998Data last reviewed in September, 1965

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (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 6.1108018.401219
B 1.4570110.310730
C 0.969086-0.049216
D -0.6384560.003239
E 0.031315-0.784603
F -28.20480-30.55390
G 54.3419055.38050
H -26.41661-26.41661
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1965 Data last reviewed in September, 1965

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, IR Spectrum, References, Notes

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

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

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

Reactions 1 to 50

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

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

Quantity Value Units Method Reference Comment
Δr47. ± 2.kcal/molAVGN/AAverage of 18 values; Individual data points

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

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

Quantity Value Units Method Reference Comment
Δr27.1 ± 0.8kcal/molAVGN/AAverage of 13 values; Individual data points

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

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

Quantity Value Units Method Reference Comment
Δr40.20 ± 0.60kcal/molKinSGraham and Angelici, 1967solvent: Decalin; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Cr(CO)6(solution) with PBu3(solution).; MS
Δr38.10kcal/molKinSWerner and Prinz, 1966solvent: n-Decane+cyclohexane mixture; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reactions of Cr(CO)6(solution) with a phosphine and an amine. The results were quoted from Graham and Angelici, 1967.; MS

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

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

Quantity Value Units Method Reference Comment
Δr31.7 ± 1.4kcal/molKinSGraham and Angelici, 1967solvent: Decalin; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Mo(CO)6(solution) with PBu3(solution).; MS
Δr30.21kcal/molKinSWerner and Prinz, 1966solvent: n-Decane+cyclohexane mixture; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reactions of Mo(CO)6(solution) with a phosphine and an amine. The results were quoted from Graham and Angelici, 1967.; MS

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

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

Quantity Value Units Method Reference Comment
Δr39.9 ± 1.6kcal/molKinSGraham and Angelici, 1967solvent: Decalin; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of W(CO)6(solution) with PBu3(solution).; MS
Δr39.01kcal/molKinSWerner and Prinz, 1966solvent: n-Decane+cyclohexane mixture; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reactions of W(CO)6(solution) with a phosphine and an amine. The results were quoted from Graham and Angelici, 1967.; MS

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

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

Quantity Value Units Method Reference Comment
Δr-9.0 ± 2.3kcal/molES/KSPoë, Sampson, et al., 1993solvent: Decalin; Calculated from equilibrium and kinetic data Poë, Sampson, et al., 1993.; MS
Δr-18.5 ± 2.3kcal/molN/APoë, Sampson, et al., 1993solvent: Decalin; Calculated from data for the reactions Os3(CO)10(H)2(solution) + CO(solution) = Os3(CO)11(H)2(solution) (hrxn [kJ/mol]=-39.7±1.3, srxn [J/(mol K)]=-80.3±3.8) and Os3(CO)11(H)2(solution) + CO(solution) = Os3(CO)12(solution) + H2(g) (hrxn [kJ/mol]=-37.7±9.6, srxn [J/(mol K)]=-32.6±27.6) Poë, Sampson, et al., 1993.; MS

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

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

Quantity Value Units Method Reference Comment
Δr41.5 ± 3.0kcal/molLPHPLewis, Golden, et al., 1984Please also see Smith and Laine, 1981. Temperature range: 670-780 K. The reaction enthalpy at 298 K relies on an activation energy of 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
Δr55. ± 11.kcal/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

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

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

Quantity Value Units Method Reference Comment
Δr34.9 ± 5.0kcal/molKinGGanske and Rosenfeld, 1990MS
Δr40.5 ± 3.0kcal/molLPHPLewis, Golden, et al., 1984The 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
Δr30.21kcal/molKinGCetini and Gambino, 1963Please also see Graham and Angelici, 1967. The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Mo(CO)6(g) with CO(g) Cetini and Gambino, 1963. The results were quoted from Graham and Angelici, 1967.; MS

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

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

Quantity Value Units Method Reference Comment
Δr46.0 ± 3.0kcal/molLPHPLewis, Golden, et al., 1984The 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
Δr39.79kcal/molKinGCetini and Gambino, 1963, 2Please also see Graham and Angelici, 1967. The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of W(CO)6(g) with CO(g) Cetini and Gambino, 1963, 2. The results were quoted from Graham and Angelici, 1967.; MS

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

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

Quantity Value Units Method Reference Comment
Δr37.0 ± 5.0kcal/molKinGFletcher and Rosenfeld, 1988MS
Δr36.8 ± 3.0kcal/molLPHPLewis, Golden, et al., 1984Temperature 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
Δr38.70kcal/molKinGPajaro, Calderazzo, et al., 1960Please also see Graham and Angelici, 1967. The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Cr(CO)6(g) with CO(g) Pajaro, Calderazzo, et al., 1960. The results were quoted from Graham and Angelici, 1967.; MS

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

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

Quantity Value Units Method Reference Comment
Δr-14.8kcal/molKinSWovkulich and Atwood, 1980solvent: 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+ • Carbon monoxide)

By formula: CO+ + CO = (CO+ • CO)

Quantity Value Units Method Reference Comment
Δr16.kcal/molPIPECONorwood, Guo, et al., 1988gas phase; CO+ in state B, ΔrH>; M
Δr22.4kcal/molPILinn, Ono, et al., 1981gas phase; M
Δr28. ± 7.kcal/molEIMunson and Franlin, 1962gas phase; from IP'switching reaction and heats of formation; M
Δr25.4kcal/molPHPMSMeot-Ner (Mautner) and Field, 1974gas phase; ΔrH>, DG>; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KPHPMSMeot-Ner (Mautner) and Field, 1974gas phase; ΔrH>, DG>; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.9340.HPMSChong and Franklin, 1971gas phase; equilibrium uncertain; M
11.5695.PHPMSMeot-Ner (Mautner) and Field, 1974gas phase; ΔrH>, DG>; M

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

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

Quantity Value Units Method Reference Comment
Δr71.4 ± 1.1kcal/molTD-HFC, HAL-HFCAl-Takhin, Connor, et al., 1984The 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
Δr70.77 ± 0.43kcal/molTD-HZCBarnes, Pilcher, et al., 1974Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS

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

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

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

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

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

Quantity Value Units Method Reference Comment
Δr22.2kcal/molKinSUngváry and Markó, 1974solvent: Heptane; Temperature range: 298-328 K; MS
Δr21.0kcal/molKinSUngváry, 1972solvent: Heptane; Temperature range: 307-337 K; MS

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

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

Quantity Value Units Method Reference Comment
Δr8.27kcal/molN/ANakashima and Adamson, 1982The reaction enthalpy was calculated from the enthalpy of the reaction W(CO)6(solution) + py(solution) = W(CO)5(py)(solution) + CO(solution) in cyclohexane, 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

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

By formula: CHO+ + CO = (CHO+ • CO)

Quantity Value Units Method Reference Comment
Δr10.8kcal/molPHPMSJennings, Headley, et al., 1982gas phase; M
Δr12.8kcal/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Δr11.7kcal/molPHPMSMeot-Ner (Mautner) and Field, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KPHPMSJennings, Headley, et al., 1982gas phase; M
Δr24.cal/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Δr20.9cal/mol*KPHPMSMeot-Ner (Mautner) and Field, 1974gas phase; M

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

By formula: Co+ + CO = (Co+ • CO)

Quantity Value Units Method Reference Comment
Δr41.6 ± 1.7kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr39. ± 3.kcal/molMKERCarpenter, van Koppen, et al., 1995gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
41.5 (+1.6,-0.) CIDGoebel, Haynes, et al., 1995gas phase; guided ion beam CID; M
39.0 (+4.8,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Quantity Value Units Method Reference Comment
Δr32.3 ± 2.9kcal/molPACJohnson, Popov, et al., 1991solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation.; MS
Δr31.8 ± 1.3kcal/molPACMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation; MS

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

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

Quantity Value Units Method Reference Comment
Δr36.7 ± 3.5kcal/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr>27.0kcal/molN/AVenkataraman, Bandukwalla, et al., 1989Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δr23.9 ± 6.9kcal/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

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

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

Quantity Value Units Method Reference Comment
Δr38.34 ± 0.60kcal/molEqGMonteil, Raffin, et al., 1988The reaction enthalpy is the average of several 2nd and 3rd law results Monteil, Raffin, et al., 1988; MS

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

By formula: Ni+ + CO = (Ni+ • CO)

Quantity Value Units Method Reference Comment
Δr39. ± 3.kcal/molMKERCarpenter, van Koppen, et al., 1995gas phase; determined from MKER and theory; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
41.7 (+2.5,-0.) CIDKhan, Steele, et al., 1995gas phase; guided ion beam CID; M
42.5 (+2.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Quantity Value Units Method Reference Comment
Δr29.0 ± 5.8kcal/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr25.1kcal/molN/AVenkataraman, Bandukwalla, et al., 1989Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δr32.7 ± 6.9kcal/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

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

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

Quantity Value Units Method Reference Comment
Δr8.4 ± 3.5kcal/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr<39.0kcal/molN/AVenkataraman, Bandukwalla, et al., 1989Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δr21. ± 6.9kcal/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

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

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

Quantity Value Units Method Reference Comment
Δr28.0 ± 8.6kcal/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr10.kcal/molN/AVenkataraman, Bandukwalla, et al., 1989Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δr4.5 ± 9.3kcal/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

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

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

Quantity Value Units Method Reference Comment
Δr22.6kcal/molKinSTurner, Simpson, et al., 1983solvent: 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 • 4294967295Carbon monoxide) + Carbon monoxide = CAS Reg. No. 71564-27-7

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

Quantity Value Units Method Reference Comment
Δr34.7 ± 9.6kcal/molN/ANakajima, Taguwa, et al., 1994gas phase; Vertical Detachment Energy: 3.02±0.13 eV; B
Δr36. ± 12.kcal/molN/AEngelking and Lineberger, 1979gas phase; B
Δr41.7 ± 2.5kcal/molCIDTSunderlin, Wang, et al., 1992gas phase; Affinity: CO..Fe(CO)3-; B

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

By formula: C15H10O = C14H10 + CO

Quantity Value Units Method Reference Comment
Δr-6.7 ± 1.2kcal/molCphaHung and Grabowski, 1992liquid phase; solvent: Alkane; ALS
Δr4.2 ± 2.5kcal/molCphaHerman and Goodman, 1989solid phase; solvent: Acetonitrile/water; ALS
Δr-9.9 ± 2.9kcal/molCphaGrabowski, Simon, et al., 1984liquid phase; solvent: Benzene; ALS

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

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

Quantity Value Units Method Reference Comment
Δr4.7 ± 0.3kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr6.3kcal/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr15.8cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr26.cal/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr4.5 ± 0.3kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr6.2kcal/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr18.2cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr29.cal/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr4.2 ± 0.3kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr5.8kcal/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr32.cal/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr4.9 ± 0.3kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr6.6kcal/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr15.0cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr24.cal/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr40.6 ± 5.8kcal/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr25.8kcal/molN/AMcQuaid, Morris, et al., 1988Method: Chemiluminescence spectroscopy.; MS
Δr29. ± 15.kcal/molN/AStevens, Feigerle, et al., 1982Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

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

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

Quantity Value Units Method Reference Comment
Δr36.6 ± 2.2kcal/molCIDTRodgers and Armentrout, 2000RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
36.4 (+2.1,-0.) CIDGoebel, Haynes, et al., 1995gas phase; guided ion beam CID; M
32.9 (+4.8,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: Fe+ + CO = (Fe+ • CO)

Quantity Value Units Method Reference Comment
Δr30.8 ± 1.0kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr32. ± 3.kcal/molMKERCarpenter, van Koppen, et al., 1995gas phase; determined from MKER and theory; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
31.3 (+1.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Quantity Value Units Method Reference Comment
Δr-13.4 ± 1.0kcal/molRSCNolan, López de la Vega, et al., 1986solvent: Tetrahydrofuran; MS
Δr-12.6kcal/molEqSCalderazzo, 1977solvent: 2,2'-diethoxydiethyl ether; MS

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

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

Quantity Value Units Method Reference Comment
Δr30.38 ± 0.50kcal/molEqGBronshstein, Gankin, et al., 1966Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970. Temperature range: ca. 423-533 K; MS

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

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

Quantity Value Units Method Reference Comment
Δr5.7 ± 0.7kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr5.7 ± 0.7kcal/molCIDTWalter, Sievers, et al., 1998RCD
Δr7.5kcal/molHPMSCastleman, Peterson, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr15.1cal/mol*KHPMSCastleman, Peterson, et al., 1983gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr6.55 ± 0.69kcal/molPCNakashima and Adamson, 1982solvent: Cyclohexane; MS
Δr5.95 ± 0.69kcal/molPCNakashima and Adamson, 1982solvent: Benzene; MS
Δr4.40 ± 0.1kcal/molPCNakashima and Adamson, 1982solvent: Tetrahydrofuran; MS

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

By formula: Na+ + CO = (Na+ • CO)

Quantity Value Units Method Reference Comment
Δr7.6 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr7.6 ± 1.9kcal/molCIDTWalter, Sievers, et al., 1998RCD
Δr12.6kcal/molHPMSCastleman, Peterson, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KHPMSCastleman, Peterson, et al., 1983gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr25. ± 2.kcal/molN/AStevens, Feigerle, et al., 1982Please 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+ • 2Carbon monoxide) + Carbon monoxide = (CO+ • 3Carbon monoxide)

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

Quantity Value Units Method Reference Comment
Δr7.21kcal/molPHPMSHiraoka and Mori, 1991gas phase; two isomers, at low and high temperatures; M
Quantity Value Units Method Reference Comment
Δr24.5cal/mol*KPHPMSHiraoka and Mori, 1991gas phase; two isomers, at low and high temperatures; M

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

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

Quantity Value Units Method Reference Comment
Δr2.70kcal/molPHPMSHiraoka and Mori, 1991gas phase; two isomers, at low and high temperatures; M
Quantity Value Units Method Reference Comment
Δr19.1cal/mol*KPHPMSHiraoka and Mori, 1991gas phase; two isomers, at low and high temperatures; M

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

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

Quantity Value Units Method Reference Comment
Δr-5.9 ± 1.5kcal/molEqSMoloy and Marks, 1984solvent: Toluene; Temperature range: ca. 180-200 K; MS

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

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

Quantity Value Units Method Reference Comment
Δr-4.49 ± 0.91kcal/molEqSMoloy and Marks, 1984solvent: Toluene; Temperature range: ca. 180-220 K; MS

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

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

Quantity Value Units Method Reference Comment
Δr77.89 ± 0.36kcal/molTD-HZCBarnes, Pilcher, et al., 1974, 2Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS
Δr71.0 ± 1.0kcal/molTD-HFCConnor, Skinner, et al., 1972Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS

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

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

Quantity Value Units Method Reference Comment
Δr1.76kcal/molPHPMSHiraoka and Mori, 1989gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/AHiraoka and Mori, 1989gas phase; Entropy change calculated or estimated; M

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

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

Quantity Value Units Method Reference Comment
Δr-18.8 ± 0.50kcal/molEqSWong and Brintzinger, 1975solvent: Toluene; Temperature range: 280-308 K; MS

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

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

Quantity Value Units Method Reference Comment
Δr63.6 ± 1.kcal/molTD-HFCAl-Takhin, Connor, et al., 1984, 2MS
Δr75.3 ± 0.2kcal/molTD-HZCPittam, Pilcher, et al., 1975Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS
Δr64.4 ± 1.1kcal/molTD-HFCConnor, Skinner, et al., 1972MS

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

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

Quantity Value Units Method Reference Comment
Δr29.49 ± 0.50kcal/molEqSBor and Dietler, 1980solvent: Hexane; Temperature range: 378-418 K; MS

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Notes

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

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
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Graham and Angelici, 1967
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Werner and Prinz, 1966
Werner, H.; Prinz, R., Chem. Ber., 1966, 99, 3582. [all data]

Poë, Sampson, et al., 1993
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Lewis, Golden, et al., 1984
Lewis, K.E.; Golden, D.M.; Smith, G.P., Organometallic bond dissociation energies: Laser pyrolysis of Fe(CO)5, Cr(CO)6, Mo(CO)6, and W(CO)6, J. Am. Chem. Soc., 1984, 106, 3905. [all data]

Smith and Laine, 1981
Smith, G.P.; Laine, R.M., Organometallic bond dissociation energies. Laser pyrolysis of Fe(CO)5, J. Phys. Chem., 1981, 85, 1620. [all data]

Miller and Grant, 1985
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Walsh, 1986
Walsh, R., NATO Advanced Workshop on the Design, Activation and Transformation of Organometallics into Common and Exotic Materials, Montpellier, France, 1986. [all data]

Ray, Brandow, et al., 1988
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Sunderlin, Wang, et al., 1992
Sunderlin, L.S.; Wang, D.; Squires, R.R., Metal Carbonyl Bond Strengths in Fe(CO)n- and Ni(CO)n-, J. Am. Chem. Soc., 1992, 114, 8, 2788, https://doi.org/10.1021/ja00034a004 . [all data]

Engelking and Lineberger, 1979
Engelking, P.C.; Lineberger, W.C., Laser photoelectron spectrometry of the negative ions of iron and iron carbonyls. Electron affinity determination for the series Fe(CO)n,n=0,1,2,3,4, J. Am. Chem. Soc., 1979, 101, 5569. [all data]

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

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Cetini and Gambino, 1963
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Cetini and Gambino, 1963, 2
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Fletcher and Rosenfeld, 1988
Fletcher, R.T.; Rosenfeld, R.N., Recombination of Cr(CO)n with CO: Kinetics and Bond Dissociation Energies, J. Am. Chem. Soc., 1988, 110, 7, 2097, https://doi.org/10.1021/ja00215a014 . [all data]

Pajaro, Calderazzo, et al., 1960
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Norwood, Guo, et al., 1988
Norwood, K.; Guo, J.H.; Luo, G.; Ng, C.Y., A Photoion - Photoelectron Coincidence Study of (CO)2, J. Chem. Phys., 1988, 88, 6, 4098, https://doi.org/10.1063/1.453814 . [all data]

Linn, Ono, et al., 1981
Linn, S.H.; Ono, Y.; Ng, C.Y., Molecular Beam Photoionization Study of CO, N2, and NO Dimers and Clusters, J. Chem. Phys., 1981, 74, 6, 3342, https://doi.org/10.1063/1.441486 . [all data]

Munson and Franlin, 1962
Munson, M.S.B. Field; Franlin, J.L., High-Pressure Mass Spectrometric Study of Reactions of Rare Gases with N2 and CO, J. Chem. Phys., 1962, 37, 8, 1790, https://doi.org/10.1063/1.1733370 . [all data]

Meot-Ner (Mautner) and Field, 1974
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Chong and Franklin, 1971
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Adedeji, Brown, et al., 1975
Adedeji, F.A.; Brown, D.L.S.; Connor, J.A.; Leung, M.; Paz-Andrade, I.M.; Skinner, H.A., J. Organometal. Chem., 1975, 97, 221. [all data]

Hieber and Romberg, 1935
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Rezukhina and Shvyrev, 1952
Rezukhina, T.N.; Shvyrev, V.V., Vestn. Moskov. Univ., 1952, 7, 41. [all data]

Daamen, Ernsting, et al., 1979
Daamen, H.; Ernsting, J.M.; Oskam, A., Thermochim. Acta, 1979, 33, 217. [all data]

Boxhoorn, Ernsting, et al., 1980
Boxhoorn, G.; Ernsting, J.M.; Stufkens, D.J.; Oskam, A., Thermochim. Acta, 1980, 42, 315. [all data]

Pilcher, Ware, et al., 1975
Pilcher, G.; Ware, M.J.; Pittam, D.A., J. Less-Common Met., 1975, 42, 223. [all data]

Barnes, Pilcher, et al., 1974
Barnes, D.S.; Pilcher, G.; Pittam, D.A.; Skinner, H.A.; Todd, D., J. Less-Common Met., 1974, 38, 53. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Tel'noi and Rabinovich, 1977
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Koelliker and Bor, 1991
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Bor, 1986
Bor, G., Pure & Appl. Chem., 1986, 58, 543. [all data]

Ungváry and Markó, 1974
Ungváry, F.; Markó, L., J. Organometal. Chem., 1974, 71, 283. [all data]

Ungváry, 1972
Ungváry, F., J. Organometal. Chem., 1972, 36, 363. [all data]

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Nakashima, M.; Adamson, A.W., J. Phys. Chem., 1982, 86, 2905. [all data]

Jennings, Headley, et al., 1982
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Hiraoka, K.; Saluja, P.P.S.; Kebarle, P., Stabilities of Complexes (N2)nH+, (CO)nH+ and (O2)nH+ for n = 1 to 7 Based on Gas Phase Ion Equilibrium Measurements, Can. J. Chem., 1979, 57, 16, 2159, https://doi.org/10.1139/v79-346 . [all data]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

Carpenter, van Koppen, et al., 1995
Carpenter, C.J.; van Koppen, P.A.M.; Bowers, M.T., Details of Potential Energy Surfaces Involving C-C Bond Activation: Reactions of Fe+, Co+ and Ni+ with Acetone, J. Am. Chem. Soc., 1995, 117, 44, 10976, https://doi.org/10.1021/ja00149a021 . [all data]

Goebel, Haynes, et al., 1995
Goebel, S.; Haynes, C.L.; Khan, F.A.; Armentrout, P.B., Collision-Induced Dissociation Studies of Co(CO)x, x = 1-5: Sequential Bond Energies and the Heat of Formation of Co(CO)4, J. Am. Chem. Soc., 1995, 117, 26, 6994, https://doi.org/10.1021/ja00131a023 . [all data]

Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L., Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [all data]

Johnson, Popov, et al., 1991
Johnson, F.P.A.; Popov, V.K.; George, M.W.; Bagratashvili, V.N.; Poliakoff, M.; Turner, J.J., Mendeleev Commun., 1991, 145.. [all data]

Morse, Parker, et al., 1989
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Venkataraman, Bandukwalla, et al., 1989
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Khan, F.A.; Steele, D.L.; Armentrout, P.B., Ligand effects in organometallic thermochemistry: The sequential bond energies of Ni(CO)x+ and Ni(N2)x+ (x = 1-4) and Ni(NO)x+ (x = 1-3) [Data derived from reported bond energies taking value of 8.273±0.046 eV for IE[Ni(CO)4]], J. Phys. Chem., 1995, 99, 7819. [all data]

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Herman, M.S.; Goodman, J.L., Determination of the enthalpy and reaction volume changes of organic photoreactions using photoacoustic calorimetry, J. Am. Chem. Soc., 1989, 111, 1849-1854. [all data]

Grabowski, Simon, et al., 1984
Grabowski, J.J.; Simon, J.D.; Peters, K.S., Heat of formation of diphenylcyclopropenone by photoacoustic calorimetry, J. Am. Chem. Soc., 1984, 106, 4615-4616. [all data]

Hiraoka and Mori, 1989
Hiraoka, K.; Mori, T., Gas Phase Stabilities of the Cluster Ions H+(CO)2(CO)n, H+(N2)2(N2)n and H+(O2)2(O2)n with n = 1 - 14, Chem. Phys., 1989, 137, 1-3, 345, https://doi.org/10.1016/0301-0104(89)87119-8 . [all data]

McQuaid, Morris, et al., 1988
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Stevens, A.E.; Feigerle, C.S.; Lineberger, W.C., Laser Photoelectron Spectrometry of Ni(CO)n-, n=1-3, J. Am. Chem. Soc., 1982, 104, 19, 5026, https://doi.org/10.1021/ja00383a004 . [all data]

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Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

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Walter, D.; Sievers, M.R.; Armentrout, P.B., Alkali Ion Carbonyls: Sequential Bond Energies of Li+(CO)x (x=1-3), Na+(CO)x (x=1, 2), and K+(CO), Int. J. Mass Spectrom., 1998, 175, 1-2, 93, https://doi.org/10.1016/S0168-1176(98)00109-8 . [all data]

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Castleman, A.W.; Peterson, K.I.; Upschulte, B.L.; Schelling, F.J., Energetics and Structure of Na+ Cluster Ions, Int. J. Mass Spectrom. Ion Phys., 1983, 47, 203, https://doi.org/10.1016/0020-7381(83)87171-X . [all data]

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Hiraoka, K.; Mori, T., On the formation of the Isomeric Cluster Ions (CO)n+, J. Chem. Phys., 1991, 94, 4, 2697, https://doi.org/10.1063/1.459844 . [all data]

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Moloy, K.G.; Marks, T.J., J. Am. Chem. Soc., 1984, 106, 7051. [all data]

Barnes, Pilcher, et al., 1974, 2
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Connor, J.A.; Skinner, H.A.; Virmani, Y., Microcalorimetric studies. Thermal decomposition and iodination of metal carbonyls, J. Chem. Soc., Faraday Trans. 1, 1972, 68, 0, 1754, https://doi.org/10.1039/f19726801754 . [all data]

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Al-Takhin, Connor, et al., 1984, 2
Al-Takhin, G.; Connor, J.A.; Skinner, H.A.; Zaharani-Moettar, M.T., J. Organomet. Chem., 1984, 260, 189. [all data]

Pittam, Pilcher, et al., 1975
Pittam, D.A.; Pilcher, G.; Barnes, D.S.; Skinner, H.A.; Todd, D., J. Less-Common Met., 1975, 42, 217. [all data]

Bor and Dietler, 1980
Bor, G.; Dietler, U.K., J. Organometal. Chem., 1980, 191, 295. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, References