Dodecahydrotripyrrolo[1,2-a:1',2'-c:1",2"-e][1,3,5]triazine


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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

3Hydrogen + Dodecahydrotripyrrolo[1,2-a:1',2'-c:1",2"-e][1,3,5]triazine = 3Pyrrolidine

By formula: 3H2 + C12H21N3 = 3C4H9N

Quantity Value Units Method Reference Comment
Δr-25.0 ± 0.1kcal/molChydWiberg, Nakaji, et al., 1993liquid phase; solvent: Acetic acid

31-Pyrroline = Dodecahydrotripyrrolo[1,2-a:1',2'-c:1",2"-e][1,3,5]triazine

By formula: 3C4H7N = C12H21N3

Quantity Value Units Method Reference Comment
Δr-49.6 ± 0.5kcal/molEqkWiberg, Nakaji, et al., 1993liquid phase

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 by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IE (eV) Method Reference Comment
7.8PEBeck, Hunig, et al., 1986 
8.2PEBeck, Hunig, et al., 1986Vertical value

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.

Wiberg, Nakaji, et al., 1993
Wiberg, K.B.; Nakaji, D.Y.; Morgan, K.M., Heat of hydrogenation of a cis imine. An experimental and theoretical study, J. Am. Chem. Soc., 1993, 115, 3527-3532. [all data]

Beck, Hunig, et al., 1986
Beck, K.; Hunig, S.; Poppek, R.; Prokschy, F.; Rademacher, P., Photoelektronenspektroscopische untersuchungen an hexahydro-1,3,5-triazinen, Chem. Ber., 1986, 119, 554. [all data]


Notes

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