Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

1-naphthalenide anion


Reaction thermochemistry data

Go To: Top, Gas phase ion energetics 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C10H7- + Hydrogen cation = Naphthalene

By formula: C10H7- + H+ = C10H8

Quantity Value Units Method Reference Comment
Deltar1649. ± 5.0kJ/molBranReed and Kass, 2000gas phase
Deltar1649. ± 5.0kJ/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.
Deltar1648. ± 21.kJ/molCIDCLardin, Squires, et al., 2001gas phase
Quantity Value Units Method Reference Comment
Deltar1613. ± 5.4kJ/molH-TSReed and Kass, 2000gas phase
Deltar1606. ± 5.0kJ/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.
Deltar1613. ± 21.kJ/molH-TSLardin, Squires, et al., 2001gas phase

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

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
1.403 ± 0.015LPESErvin, Ramond, et al., 2001 
1.431 ± 0.061CIDCLardin, Squires, et al., 2001 
1.370 ± 0.022CIDCReed and Kass, 2000 

Protonation reactions

C10H7- + Hydrogen cation = Naphthalene

By formula: C10H7- + H+ = C10H8

Quantity Value Units Method Reference Comment
Deltar1649. ± 5.0kJ/molBranReed and Kass, 2000gas phase
Deltar1649. ± 5.0kJ/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.
Deltar1648. ± 21.kJ/molCIDCLardin, Squires, et al., 2001gas phase
Quantity Value Units Method Reference Comment
Deltar1613. ± 5.4kJ/molH-TSReed and Kass, 2000gas phase
Deltar1606. ± 5.0kJ/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.
Deltar1613. ± 21.kJ/molH-TSLardin, Squires, et al., 2001gas phase

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.

Reed and Kass, 2000
Reed, D.R.; Kass, S.R., Experimental determination of the alpha and beta C-H bond dissociation energies in naphthalene, J. Mass Spectrom., 2000, 35, 4, 534-539, https://doi.org/10.1002/(SICI)1096-9888(200004)35:4<534::AID-JMS964>3.0.CO;2-T . [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]

Lardin, Squires, et al., 2001
Lardin, H.A.; Squires, R.R.; Wenthold, P.G., Determination of the electron affinities of alpha- and beta- naphthyl radicals using the kinetic method with full entropy analysis. The C-H bond dissociation energies of naphthalene, J. Mass Spectrom., 2001, 36, 6, 607-615, https://doi.org/10.1002/jms.159 . [all data]

Ervin, Ramond, et al., 2001
Ervin, K.M.; Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Casey, S.M.; Lineberger, W.C., Naphthyl radical: Negative ion photoelectron spectroscopy, Franck-Condon simulation, and thermochemistry, J. Phys. Chem. A, 2001, 105, 48, 10822-10831, https://doi.org/10.1021/jp011779h . [all data]


Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References