1,4-Methanonaphthalene, 1,4-dihydro-
- Formula: C11H10
- Molecular weight: 142.1971
- IUPAC Standard InChIKey: IEGYXSAHRKJELM-UHFFFAOYSA-N
- CAS Registry Number: 4453-90-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Benzonorbornadiene; 1,4-Dihydro-1,4-methanonaphthalene
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), References, Notes
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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C11H10+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.34 | PE | Ku, Paquette, et al., 1979 | Vertical value; LLK |
8.34 ± 0.05 | PE | Santiago, McAlduff, et al., 1978 | Vertical value; LLK |
8.32 ± 0.05 | PE | Domelsmith, Mollere, et al., 1978 | Vertical value; LLK |
8.34 | PE | Haselbach and Rossi, 1976 | Vertical value; LLK |
8.30 ± 0.05 | PE | Morishima, Yoshikawa, et al., 1975 | Vertical value; LLK |
Mass spectrum (electron ionization)
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Chemical Concepts |
NIST MS number | 191172 |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ku, Paquette, et al., 1979
Ku, A.Y.; Paquette, L.A.; Rozeboom, M.D.; Houk, K.N.,
Polar effects on di-π-methane rearrangements. Regiospecificity in the triplet- sensitized photoisomerizations of 2-cyanobenzonorbornadienes carrying methoxy aryl substituents,
J. Am. Chem. Soc., 1979, 101, 5981. [all data]
Santiago, McAlduff, et al., 1978
Santiago, C.; McAlduff, E.J.; Houk, K.N.; Snow, R.A.; Paquette, L.A.,
Photoelectron spectra of ortho- and meta-substituted benzonorbornadienes. Relationships to regioselectivities in triplet di-π-methane rearrangements,
J. Am. Chem. Soc., 1978, 100, 6149. [all data]
Domelsmith, Mollere, et al., 1978
Domelsmith, L.N.; Mollere, P.D.; Houk, K.N.; Hahn, R.C.; Johnson, R.P.,
Photoelectron and charge transfer spectra of benzobicycloalkenes. Relationships between through-space interactions and reactivity,
J. Am. Chem. Soc., 1978, 100, 2959. [all data]
Haselbach and Rossi, 1976
Haselbach, E.; Rossi, M.,
33. Electronic structure, molecular conformation and reactivity of benzonorboradiene systems,
Helv. Chim. Acta, 1976, 59, 278. [all data]
Morishima, Yoshikawa, et al., 1975
Morishima, I.; Yoshikawa, K.; Hashimoto, M.; Bekki, K.,
Homoallylic interaction between the nitrogen lone pair and the nonadjacent π bond in cyclic and bicyclic amines. I. Photoelectron spectroscopic study,
J. Am. Chem. Soc., 1975, 97, 4283. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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