1,4-Dihydro-1,4-methanonaphthalene-2-carbonitrile
- Formula: C12H9N
- Molecular weight: 167.2066
- IUPAC Standard InChI: InChI=1S/C12H9N/c13-7-9-5-8-6-12(9)11-4-2-1-3-10(8)11/h1-5,8,12H,6H2
- IUPAC Standard InChIKey: PPJKYKZPSUOZFT-UHFFFAOYSA-N
- CAS Registry Number: 71906-57-5
- Chemical structure:
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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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C12H9N+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.77 ± 0.05 | PE | Paguette, Ku, et al., 1979 | Vertical value; LLK |
| 8.77 | PE | Ku, Paquette, et al., 1979 | Vertical value; LLK |
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.
Paguette, Ku, et al., 1979
Paguette, L.A.; Ku, A.Y.; Santiago, C.; Rozenboom, M.D.; Houk, K.N.,
Control of regioselectivity in the di-π-methane rearrangement. Triplet-sensitized photoisomerization of benzonorbornadienes carrying cyano substituents in the aryl and vinyl segments,
J. Am. Chem. Soc., 1979, 101, 5972. [all data]
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]
Notes
Go To: Top, Gas phase ion energetics data, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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