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Ethanol, 2-bromo-

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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:
HL - Edward P. Hunter and 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
LL - Sharon G. Lias and Joel F. Liebman

Quantity Value Units Method Reference Comment
Proton affinity (review)766.1kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity735.7kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.0PEOhno, Imai, et al., 1985LBLHLM
10.62PEKimura, Katsumata, et al., 1981LLK
10.63PEBaker, Betteridge, et al., 1971LLK
10.63PEBaker, Betteridge, et al., 1971LLK
10.62PEOhno, Imai, et al., 1985Vertical value; LBLHLM
10.57PEKobayashi, 1984Vertical value; LBLHLM
10.65PEHoppilliard and Solgadi, 1980Vertical value; LLK
10.75PEHoppilliard and Solgadi, 1980Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3O+11.34CH2BrEIHolmes and Lossing, 1988LL
CH3O+11.34 ± 0.05CH2BrEIHolmes and Lossing, 1984LBLHLM
CH3O+[CH2OH+]11.314 ± 0.005CH2BrPIRuscic and Berkowitz, 1994T = 0K; LL
C2H5O+10.47 ± 0.05BrEISolka and Russell, 1974LLK
C2H5O+[CH2CH2OH+]10.774 ± 0.005BrPIRuscic and Berkowitz, 1994T = 0K; LL

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.

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]

Ohno, Imai, et al., 1985
Ohno, K.; Imai, K.; Harada, Y., Variations in reactivity of lone-pair electrons due to intramolecular hydrogen bonding as observed by penning ionization electron spectroscopy, J. Am. Chem. Soc., 1985, 107, 8078. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Baker, Betteridge, et al., 1971
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E., Application of photoelectron spectrometry to pesticide analysis. II.Photoelectron spectra of hydroxy-, and halo-alkanes and halohydrins, Anal. Chem., 1971, 43, 375. [all data]

Kobayashi, 1984
Kobayashi, T., Angle-resolved photoelectron spectroscopy of intramolecular hydrogen bond systems: 2-chloroethanol and 2-bromoethanol, Phys. Lett. A, 1984, 103, 424. [all data]

Hoppilliard and Solgadi, 1980
Hoppilliard, Y.; Solgadi, D., Conformational analysis of 2-haloethanols and 2-methoxyethylhalides in a photoelectron spectrometer, Tetrahedron, 1980, 36, 377. [all data]

Holmes and Lossing, 1988
Holmes, J.L.; Lossing, F.P., Heats of formation and bond dissociation energies in halogen-substituted methyl and ethyl radicals, J. Am. Chem. Soc., 1988, 110, 7343. [all data]

Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P., Heats of formation of organic radicals from appearance energies, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]

Ruscic and Berkowitz, 1994
Ruscic, B.; Berkowitz, J., The heats of formation of some C2H5O+ isomers, relevant bond energies in ethanol and PA(CH3CHO), J. Chem. Phys., 1994, 101, 10936. [all data]

Solka and Russell, 1974
Solka, B.H.; Russell, M.E., Energetics of formation of some structural isomers of gaseous C2H5O+ C2H6N+ ions, J. Phys. Chem., 1974, 78, 1268. [all data]


Notes

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