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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- bullet Methyl Alcohol)

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

Quantity Value Units Method Reference Comment
Deltar21.9 ± 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
Deltar13.2 ± 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
Deltar374.1 ± 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
Deltar366.8 ± 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, 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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