1H-Pyrrole, 1-methyl-

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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 as indicated in comments:
B - John E. Bartmess
RCD - Robert C. Dunbar

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Individual Reactions

C5H6N- + Hydrogen cation = 1H-Pyrrole, 1-methyl-

By formula: C5H6N- + H+ = C5H7N

Quantity Value Units Method Reference Comment
Δr392.8 ± 3.1kcal/molG+TSDePuy, Kass, et al., 1988gas phase; Anion of N-methyl-pyrrole. Between Me2NH, H2O.; B
Quantity Value Units Method Reference Comment
Δr386.0 ± 3.0kcal/molIMRBDePuy, Kass, et al., 1988gas phase; Anion of N-methyl-pyrrole. Between Me2NH, H2O.; B

Lithium ion (1+) + 1H-Pyrrole, 1-methyl- = (Lithium ion (1+) • 1H-Pyrrole, 1-methyl-)

By formula: Li+ + C5H7N = (Li+ • C5H7N)

Quantity Value Units Method Reference Comment
Δr44.5 ± 4.0kcal/molCIDTHuang and Rodgers, 2002RCD

Sodium ion (1+) + 1H-Pyrrole, 1-methyl- = (Sodium ion (1+) • 1H-Pyrrole, 1-methyl-)

By formula: Na+ + C5H7N = (Na+ • C5H7N)

Quantity Value Units Method Reference Comment
Δr26.6 ± 0.8kcal/molCIDTHuang and Rodgers, 2002RCD

Potassium ion (1+) + 1H-Pyrrole, 1-methyl- = (Potassium ion (1+) • 1H-Pyrrole, 1-methyl-)

By formula: K+ + C5H7N = (K+ • C5H7N)

Quantity Value Units Method Reference Comment
Δr21.0 ± 1.5kcal/molCIDTHuang and Rodgers, 2002RCD

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.

DePuy, Kass, et al., 1988
DePuy, C.H.; Kass, S.R.; Bean, G.P., Formation and Reactions of Heteroaromatic Anions in the Gas Phase, J. Org. Chem., 1988, 53, 19, 4427, https://doi.org/10.1021/jo00254a001 . [all data]

Huang and Rodgers, 2002
Huang, H.; Rodgers, M.T., Sigma versus Pi interactions in alkali metal ion binding to azoles: Threshold collision-induced dissociation and ab initio theory studies, J. Phys. Chem. A, 2002, 106, 16, 4277, https://doi.org/10.1021/jp013630b . [all data]


Notes

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