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Naphthalene, 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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Individual Reactions

C11H9- + Hydrogen cation = Naphthalene, 1-methyl-

By formula: C11H9- + H+ = C11H10

Quantity Value Units Method Reference Comment
Deltar1565. ± 8.8kJ/molG+TSBartmess and Griffiths, 1990gas phase; Isomer 1-methylene-1,4-dihydronaphthalene: «DELTA»G=349.0±2.0, «DELTA»S=27±2, «DELTA»H=357.1; B
Deltar1551. ± 10.kJ/molTDEqMeot-ner, Liebman, et al., 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B
Quantity Value Units Method Reference Comment
Deltar1531. ± 8.4kJ/molIMREBartmess and Griffiths, 1990gas phase; Isomer 1-methylene-1,4-dihydronaphthalene: «DELTA»G=349.0±2.0, «DELTA»S=27±2, «DELTA»H=357.1; B
Deltar1516. ± 8.4kJ/molTDEqMeot-ner, Liebman, et al., 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B

C11H10+ + Naphthalene, 1-methyl- = (C11H10+ bullet Naphthalene, 1-methyl-)

By formula: C11H10+ + C11H10 = (C11H10+ bullet C11H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar78.7kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar126.J/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M

C6H7N+ + Naphthalene, 1-methyl- = (C6H7N+ bullet Naphthalene, 1-methyl-)

By formula: C6H7N+ + C11H10 = (C6H7N+ bullet C11H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar66.1kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar105.J/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M

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.

Bartmess and Griffiths, 1990
Bartmess, J.E.; Griffiths, S.S., Tautomerization Energetics of Benzoannelated Toluenes, J. Am. Chem. Soc., 1990, 112, 8, 2932, https://doi.org/10.1021/ja00164a014 . [all data]

Meot-ner, Liebman, et al., 1988
Meot-ner, M.; Liebman, J.F.; Kafafi, S.A., Ionic Probes of Aromaticity in Annelated Rings, J. Am. Chem. Soc., 1988, 110, 18, 5937, https://doi.org/10.1021/ja00226a001 . [all data]

Kiefer, Zhang, et al., 1997
Kiefer, J.H.; Zhang, Q.; Kern, R.D.; Yao, J.; Jursic, B., Pyrolysis of Aromatic Azines: Pyrazine, Pyrimidine, and Pyridine, J. Phys. Chem. A, 1997, 101, 38, 7061, https://doi.org/10.1021/jp970211z . [all data]

El-Shall and Meot-Ner (Mautner), 1987
El-Shall, M.S.; Meot-Ner (Mautner), M., Ionic Charge Transfer Complexes. 3. Delocalised pi Systems as Electron Acceptors and Donors, J. Phys. Chem., 1987, 91, 5, 1088, https://doi.org/10.1021/j100289a017 . [all data]


Notes

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