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Ethyl bromide

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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
L - Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
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

View reactions leading to C2H5Br+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.29 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)166.4kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity160.1kcal/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
163.6 ± 0.38Bouchoux, Caunan, et al., 2001T = 300K; MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
157.9 ± 0.38Bouchoux, Caunan, et al., 2001T = 300K; MM

Protonation entropy at 298K

Protonation entropy (cal/mol*K) Reference Comment
6.98Bouchoux, Caunan, et al., 2001T = 300K; MM

Ionization energy determinations

IE (eV) Method Reference Comment
10.31ESTLuo and Pacey, 1992LL
10.2PEOhno, Imai, et al., 1985LBLHLM
10.30PEKimura, Katsumata, et al., 1981LLK
10.24 ± 0.03EIJohnstone, Mellon, et al., 1970RDSH
10.30 ± 0.015PEHashmall and Heilbronner, 1970RDSH
10.29 ± 0.01PIWatanabe, 1957RDSH
10.29 ± 0.02SPrice, 1936RDSH
10.30PEOhno, Imai, et al., 1985Vertical value; LBLHLM
10.30PEKimura, Katsumata, et al., 1981Vertical value; LLK
10.29PEUtsunomiya, Kobayashi, et al., 1980Vertical value; LLK
10.28PEHoppilliard and Solgadi, 1980Vertical value; LLK
10.28PEKimura, Katsumata, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Br+18.6 ± 0.3?EIIrsa, 1957RDSH
CH2Br+14.1 ± 0.1CH3EIIrsa, 1957RDSH
CH3+16.9 ± 0.3?EIIrsa, 1957RDSH
C2H5+11.21 ± 0.05BrPIPECOMiller and Baer, 1984T = 0K; LBLHLM
C2H5+11.05 ± 0.01BrPITraeger and McLoughlin, 1981T = 298K; LLK
C2H5+11.14BrPITraeger and McLoughlin, 1981T = 0K; LLK
C2H5+10.72 ± 0.08BrEIJohnstone and Mellon, 1972LLK
C2H5+11.15BrEIGrutzmacher, 1970RDSH

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]

Bouchoux, Caunan, et al., 2001
Bouchoux, G.; Caunan, F.; Leblanc, D.; Nguyen, M.T.; Salpin, J.Y., Protonation thermochemistry of ethyl halides, Chem Phys. Phys. Chem., 2001, 10, 604-610. [all data]

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [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]

Johnstone, Mellon, et al., 1970
Johnstone, R.A.W.; Mellon, F.A.; Ward, S.D., Online acquisition of ionization efficiency data, Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 241. [all data]

Hashmall and Heilbronner, 1970
Hashmall, J.A.; Heilbronner, E., n-Ionization potentials of alkyl bromides, Angew. Chem. Intern. Ed., 1970, 9, 305. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Price, 1936
Price, W.C., The far ultraviolet absorption spectra and ionization potentials of the alkyl halides. Part II, J. Chem. Phys., 1936, 4, 547. [all data]

Utsunomiya, Kobayashi, et al., 1980
Utsunomiya, C.; Kobayashi, T.; Nagakura, S., Photoelectron angular distribution measurements for some aliphatic alcohols, amines, halides, Bull. Chem. Soc. Jpn., 1980, 53, 1216. [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]

Kimura, Katsumata, et al., 1973
Kimura, K.; Katsumata, S.; Achiba, Y.; Matsumoto, H.; Nagakura, S., Photoelectron spectra and orbital structures of higher alkyl chlorides, bromides, and iodides., Bull. Chem. Soc. Jpn., 1973, 46, 373. [all data]

Irsa, 1957
Irsa, A.P., Electron impact studies on C2H5Cl, C2H5Br, and C2H5I, J. Chem. Phys., 1957, 26, 18. [all data]

Miller and Baer, 1984
Miller, B.E.; Baer, T., Kinetic energy release distribution in the fragmentation of energy-selected vinyl and ethyl bromide ions, Chem. Phys., 1984, 85, 39. [all data]

Traeger and McLoughlin, 1981
Traeger, J.C.; McLoughlin, R.G., Absolute heats of formation for gas phase cations, J. Am. Chem. Soc., 1981, 103, 3647. [all data]

Johnstone and Mellon, 1972
Johnstone, R.A.W.; Mellon, F.A., Electron-impact ionization and appearance potentials, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1209. [all data]

Grutzmacher, 1970
Grutzmacher, H.-F., Zum Mechanismus massenspektrometrischer Fragmentierungsreaktionen-IV: zur Bildung von Phenonium-Ionen bei der Elektronenstoss-Fragmentierung von -Phenylathylbromiden, Org. Mass Spectrom., 1970, 3, 131. [all data]


Notes

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