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Sulfide, allyl methyl


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
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 C4H8S+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.6PESchafer and Schweig, 1972LLK
8.7 ± 0.2EIHobrock and Kiser, 1963RDSH
8.65PEEaton and Traylor, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHS+13.8 ± 0.3?EIHobrock and Kiser, 1963RDSH
CH2S+11.4 ± 0.3?EIHobrock and Kiser, 1963RDSH
CH3+17.7 ± 0.5?EIHobrock and Kiser, 1963RDSH
CH3S+11.9 ± 0.2?EIHobrock and Kiser, 1963RDSH
CH4S+11.5 ± 0.2?EIHobrock and Kiser, 1963RDSH
C2H3+16.5 ± 0.4?EIHobrock and Kiser, 1963RDSH
C2H5S+12.0 ± 0.2?EIHobrock and Kiser, 1963RDSH
C3H+16.6 ± 0.5?EIHobrock and Kiser, 1963RDSH
C3H2+20.3?EIHobrock and Kiser, 1963RDSH
C3H3+16.5 ± 0.4?EIHobrock and Kiser, 1963RDSH
C3H5+12.7 ± 0.3?EIHobrock and Kiser, 1963RDSH
C3H5S+11.0 ± 0.2CH3EIHobrock and Kiser, 1963RDSH

De-protonation reactions

C4H7S- + Hydrogen cation = Sulfide, allyl methyl

By formula: C4H7S- + H+ = C4H8S

Quantity Value Units Method Reference Comment
Deltar373.6 ± 4.1kcal/molG+TSDahlke and Kass, 1991gas phase; Between iPrOH, MeCN. Reprotonation site uncertain.; B
Quantity Value Units Method Reference Comment
Deltar367.0 ± 4.0kcal/molIMRBDahlke and Kass, 1991gas phase; Between iPrOH, MeCN. Reprotonation site uncertain.; B

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.

Schafer and Schweig, 1972
Schafer, W.; Schweig, A., Evidence against the significance of C-S hyperconjugation in determining the conformation of allyl methyl sulphide, J. Chem. Soc., Chem. Commun., 1972, 824. [all data]

Hobrock and Kiser, 1963
Hobrock, B.G.; Kiser, R.W., Electron impact investigations of sulfur compounds. II. 3-Methyl-2-thiabutane, 4-thia-1-pentene, and 3,4-dithiahexane, J. Phys. Chem., 1963, 67, 648. [all data]

Eaton and Traylor, 1974
Eaton, D.F.; Traylor, T.G., Distortional stabilization in phenyl participations, J. Am. Chem. Soc., 1974, 96, 7109. [all data]

Dahlke and Kass, 1991
Dahlke, G.D.; Kass, S.R., Substituent Effects in the Gas Phase - 1-Substituted Allyl Anions, J. Am. Chem. Soc., 1991, 113, 15, 5566, https://doi.org/10.1021/ja00015a008 . [all data]


Notes

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