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Difluorochloromethane

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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:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
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

Quantity Value Units Method Reference Comment
IE (evaluated)12.28 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
12.28 ± 0.02PIWang and Leroi, 1983LBLHLM
12.1PENovak, Cvitas, et al., 1981LLK
12.45 ± 0.05PIWatanabe, Nakayama, et al., 1962RDSH
12.56PENovak, Cvitas, et al., 1981Vertical value; LLK
12.6PEDoucet, Sauvageau, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CFCl+15.9 ± 0.3?EIHobrock and Kiser, 1964RDSH
CF+17. ± 0.?EIHobrock and Kiser, 1964RDSH
CF2+16.1 ± 0.3?EIHobrock and Kiser, 1964RDSH
CHFCl+15.11 ± 0.15FEIHobrock and Kiser, 1964RDSH
CHF2+12.59 ± 0.15ClEIHobrock and Kiser, 1964RDSH
Cl+20.5 ± 0.3?EIHobrock and Kiser, 1964RDSH

De-protonation reactions

CClF2- + Hydrogen cation = Difluorochloromethane

By formula: CClF2- + H+ = CHClF2

Quantity Value Units Method Reference Comment
Deltar>1567.8kJ/molAcidPaulino and Squires, 1991gas phase; Probably CF2..Cl-, non-covalent.; B
Deltar1583. ± 29.kJ/molD-EADispert and Lacmann, 1978gas phase; From CF2Cl2; B
Quantity Value Units Method Reference Comment
Deltar>1535.4 ± 3.7kJ/molH-TSPaulino and Squires, 1991gas phase; Probably CF2..Cl-, non-covalent.; B
Deltar1550. ± 30.kJ/molH-TSDispert and Lacmann, 1978gas phase; From CF2Cl2; B

References

Go To: Top, Gas phase ion energetics data, Notes

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

Wang and Leroi, 1983
Wang, F.C.-Y.; Leroi, G.E., Photoionization and fragmentation of halogenated methanes, Ann. Isr. Phys. Soc., 1983, 6, 210. [all data]

Novak, Cvitas, et al., 1981
Novak, I.; Cvitas, T.; Klasinc, L.; Gusten, H., Photoelectron spectra of some halogenomethanes, J. Chem. Soc. Faraday Trans. 2, 1981, 77, 2049. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Doucet, Sauvageau, et al., 1973
Doucet, J.; Sauvageau, P.; Sandorfy, C., Vacuum ultraviolet and photoelectron spectra of fluoro-chloro derivatives of methane, J. Chem. Phys., 1973, 58, 3708. [all data]

Hobrock and Kiser, 1964
Hobrock, D.L.; Kiser, R.W., Electron impact studies of some trihalomethanes: trichloromethane, dichlorofluoro-methane, chlorodifluoromethane, and trifluoromethane, J. Phys. Chem., 1964, 68, 575. [all data]

Paulino and Squires, 1991
Paulino, J.A.; Squires, R.R., Carbene Anion Complexes - Unusual Structural and Thermochemical Features of alpha-Halocarbanions in the Gas Phase, J. Am. Chem. Soc., 1991, 113, 5, 1845, https://doi.org/10.1021/ja00005a067 . [all data]

Dispert and Lacmann, 1978
Dispert, H.; Lacmann, K., Negative ion formation in collisions between potassium and fluoro- and chloromethanes: Electron affinities and bond dissociation energies, Int. J. Mass Spectrom. Ion Phys., 1978, 28, 49. [all data]


Notes

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