Formyl radical


Gas phase thermochemistry data

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

Quantity Value Units Method Reference Comment
Δfgas10.40kcal/molReviewChase, 1998Data last reviewed in December, 1970
Δfgas10. ± 1.kcal/molN/ATsang, 1996 
Quantity Value Units Method Reference Comment
gas,1 bar53.693cal/mol*KReviewChase, 1998Data last reviewed in December, 1970

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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View table.

Temperature (K) 298. to 1200.1200. to 6000.
A 5.05211112.61800
B 9.6644600.637226
C -3.516580-0.093771
D 0.2315990.005690
E 0.057275-1.782271
F 8.6871712.719401
G 57.4018963.88141
H 10.4001010.40010
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1970 Data last reviewed in December, 1970

Gas phase ion energetics data

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

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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 CHO+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.12 ± 0.04eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)152.kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity143.8kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Δf(+) ion197. ± 2.kcal/molN/AN/A 
Quantity Value Units Method Reference Comment
ΔfH(+) ion,0K198.2 ± 1.8kcal/molN/AN/A 

Electron affinity determinations

EA (eV) Method Reference Comment
0.3130 ± 0.0050LPESMurray, Miller, et al., 1986B

Ionization energy determinations

IE (eV) Method Reference Comment
8.14 ± 0.04PEDyke, 1987LBLHLM
8.10 ± 0.05DERTraeger, 1985LBLHLM
8.55 ± 0.01PEDyke, Jonathan, et al., 1980LLK
10.03 ± 0.17EIReed and Brand, 1958RDSH
9.83 ± 0.18EIReed and Brand, 1958RDSH
9.31 ± 0.01PEDyke, Jonathan, et al., 1980Vertical value; LLK

References

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

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

Tsang, 1996
Tsang, W., Heats of Formation of Organic Free Radicals by Kinetic Methods in Energetics of Organic Free Radicals, Martinho Simoes, J.A.; Greenberg, A.; Liebman, J.F., eds., Blackie Academic and Professional, London, 1996, 22-58. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Murray, Miller, et al., 1986
Murray, K.K.; Miller, T.M.; Leopold, D.G.; Lineberger, W.C., Laser photoelectron spectroscopy of the Formylf anion, J. Chem. Phys., 1986, 84, 2520. [all data]

Dyke, 1987
Dyke, J.M., Properties of gas-phase ions, J. Chem. Soc. Faraday Trans., 1987, 83, 69. [all data]

Traeger, 1985
Traeger, J.C., Heat of formation for the formyl cation by photoionization mass spectrometry, Int. J. Mass Spectrom. Ion Processes, 1985, 66, 271. [all data]

Dyke, Jonathan, et al., 1980
Dyke, J.M.; Jonathan, N.B.H.; Morris, A.; Winter, M.J., The first ionization potential of the formyl radical, HCO(X2A'), studied using photoelectron spectroscopy, Mol. Phys., 1980, 39, 629. [all data]

Reed and Brand, 1958
Reed, R.I.; Brand, J.C.D., Electron impact studies. Part 4. Glyoxal, methylglyoxal and diacetyl, J. Chem. Soc. Faraday Trans., 1958, 54, 478. [all data]


Notes

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