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

1-naphthalenide anion


Gas phase ion energetics data

Go To: Top, 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
Deltar394.2 ± 1.2kcal/molBranReed and Kass, 2000gas phase
Deltar394.2 ± 1.2kcal/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.
Deltar394.0 ± 5.0kcal/molCIDCLardin, Squires, et al., 2001gas phase
Quantity Value Units Method Reference Comment
Deltar385.6 ± 1.3kcal/molH-TSReed and Kass, 2000gas phase
Deltar383.8 ± 1.2kcal/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.
Deltar385.4 ± 5.1kcal/molH-TSLardin, Squires, et al., 2001gas phase

References

Go To: Top, 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.

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]

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]

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]


Notes

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