1-Bromoadamantane
- Formula: C10H15Br
- Molecular weight: 215.130
- IUPAC Standard InChI: InChI=1S/C10H15Br/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
- IUPAC Standard InChIKey: VQHPRVYDKRESCL-UHFFFAOYSA-N
- CAS Registry Number: 768-90-1
- 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: Tricyclo[3.3.1.1(3,7)-]decane, 1-bromo-; Adamantane, 1-bromo-; Adamantyl bromide; 1-Adamantyl bromide; 1-bromotricyclo[3.3.1.13,7]decane
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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.4 | PE | Abeywickrema, Della, et al., 1984 | LBLHLM |
| 9.30 ± 0.06 | PE | Worley, Mateescu, et al., 1973 | LLK |
| 9.2 | PE | Mateescu and Workey, 1972 | LLK |
| 9.63 ± 0.01 | PE | Abeywickrema, Della, et al., 1984 | Vertical value; LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C10H15+ | 9.3 ± 0.2 | Br | PI | Zauer and Takhistov, 1986 | LBLHLM |
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.
Abeywickrema, Della, et al., 1984
Abeywickrema, R.S.; Della, E.W.; Pigou, P.E.; Livett, M.K.; Peel, J.B.,
Orbital interactions in some polycycloalkyl halides: A photoelectron spectroscopic study,
J. Am. Chem. Soc., 1984, 106, 7321. [all data]
Worley, Mateescu, et al., 1973
Worley, S.D.; Mateescu, G.D.; McFarland, C.W.; Fort, R.C., Jr.; Sheley, C.F.,
Photoelectron spectra and MINDO-SCF-MO calculations for adamantane and some of its derivatives,
J. Am. Chem. Soc., 1973, 95, 7580. [all data]
Mateescu and Workey, 1972
Mateescu, G.D.; Workey, S.D.,
Electron spectroscipy. II. Photoelectron spectra of adamantane and 1-bromoadamantane,,
Tetrahedron Lett., 1972, 52, 5285. [all data]
Zauer and Takhistov, 1986
Zauer, O.A.; Takhistov, V.V.,
Heats of formation of 1-adamantyl cations in the gas phase,
J. Org. Chem. USSR, 1986, 22, 601. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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