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1-Propene, 3-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 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

View reactions leading to C3H5Br+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.96PITraeger, 1984LBLHLM
10.0PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM
10.01PEWorrell, 1974Vertical value; LLK
10.18PESchmidt and Schweig, 1973Vertical value; LLK
10.06PEMines and Thompson, 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H5+10.39BrPITraeger, 1984LBLHLM

De-protonation reactions

C3H4Br- + Hydrogen cation = 1-Propene, 3-bromo-

By formula: C3H4Br- + H+ = C3H5Br

Quantity Value Units Method Reference Comment
Deltar375.3 ± 2.1kcal/molG+TSPoutsma, Nash, et al., 1997gas phase; Between iPrOH, HF; near tBuOH; B
Quantity Value Units Method Reference Comment
Deltar368.0 ± 2.0kcal/molIMRBPoutsma, Nash, et al., 1997gas phase; Between iPrOH, HF; near tBuOH; 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.

Traeger, 1984
Traeger, J.C., A study of the allyl cation thermochemistry by photoionization mass spectrometry, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 259. [all data]

Bieri, Asbrink, et al., 1982
Bieri, G.; Asbrink, L.; Von Niessen, W., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1982, 27, 129. [all data]

Worrell, 1974
Worrell, C.W., The photoelectron and absorption spectra of allyl halides, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 359. [all data]

Schmidt and Schweig, 1973
Schmidt, H.; Schweig, A., Semiquantitative proof of hyperconjugation, Angew. Chem. Int. Ed. Engl., 1973, 12, 307. [all data]

Mines and Thompson, 1973
Mines, G.W.; Thompson, H.W., Photoelectron spectra of vinyl and allyl halides, Spectrochim. Acta Part A, 1973, 29, 1377. [all data]

Poutsma, Nash, et al., 1997
Poutsma, J.C.; Nash, J.J.; Paulino, J.A.; Squires, R.R., Absolute Heats of Formation of Phenylcarbene and Vinylcarbene, J. Am. Chem. Soc., 1997, 119, 20, 4686, https://doi.org/10.1021/ja963918s . [all data]


Notes

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