5,5-diMe-1,3-dithianide anion


Reaction thermochemistry 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 by: John E. Bartmess

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Individual Reactions

C6H11S2- + Methyl Alcohol = (C6H11S2- • Methyl Alcohol)

By formula: C6H11S2- + CH4O = (C6H11S2- • CH4O)

Quantity Value Units Method Reference Comment
Δr21.9 ± 2.5kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr13.2 ± 1.6kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale

C6H11S2- + Hydrogen cation = C6H12S2

By formula: C6H11S2- + H+ = C6H12S2

Quantity Value Units Method Reference Comment
Δr374.1 ± 2.1kcal/molG+TSBartmess, Hays, et al., 1981gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr366.8 ± 2.0kcal/molIMREBartmess, Hays, et al., 1981gas phase; value altered from reference due to change in acidity scale

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, References, Notes

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

Data compiled by: John E. Bartmess

Protonation reactions

C6H11S2- + Hydrogen cation = C6H12S2

By formula: C6H11S2- + H+ = C6H12S2

Quantity Value Units Method Reference Comment
Δr374.1 ± 2.1kcal/molG+TSBartmess, Hays, et al., 1981gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr366.8 ± 2.0kcal/molIMREBartmess, Hays, et al., 1981gas phase; value altered from reference due to change in acidity scale

References

Go To: Top, Reaction thermochemistry data, 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.

Caldwell, Rozeboom, et al., 1984
Caldwell, G.; Rozeboom, M.D.; Kiplinger, J.P.; Bartmess, J.E., Anion-alcohol hydrogen bond strengths in the gas phase, J. Am. Chem. Soc., 1984, 106, 4660. [all data]

Paul and Kebarle, 1990
Paul, G.J.C.; Kebarle, P., Thermodynamics of the Association Reactions OH- - H2O = HOHOH- and CH3O- - CH3OH = CH3OHOCH3- in the Gas Phase, J. Phys. Chem., 1990, 94, 12, 5184, https://doi.org/10.1021/j100375a076 . [all data]

Meot-ner and Sieck, 1986
Meot-ner, M.; Sieck, L.W., Relative acidities of water and methanol, and the stabilities of the dimer adducts, J. Phys. Chem., 1986, 90, 6687. [all data]

Bartmess, Hays, et al., 1981
Bartmess, J.E.; Hays, R.L.; Khatri, H.N.; Misra, R.N.; Wilson, S.W., Elimination, fragmentation and proton transfer in 1,3-dithianes and 1,3-dithiolanes in the gas phase, J. Am. Chem. Soc., 1981, 103, 4746. [all data]


Notes

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