Dodecamethyl-[6]pericyclyne
- Formula: C30H36
- Molecular weight: 396.6068
- IUPAC Standard InChI: InChI=1S/C30H36/c1-25(2)13-15-26(3,4)17-19-28(7,8)21-23-30(11,12)24-22-29(9,10)20-18-27(5,6)16-14-25/h1-12H3
- IUPAC Standard InChIKey: BRJNVSWZHFRAQA-UHFFFAOYSA-N
- CAS Registry Number: 98127-90-3
- Chemical structure:
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Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.7 | PE | Houk, Scott, et al., 1985 | |
| 9.05 | PE | Houk, Scott, et al., 1985 | Vertical value |
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.
Houk, Scott, et al., 1985
Houk, K.N.; Scott, L.T.; Rondan, N.G.; Spellmeyer, D.C.; Reinhardt, G.; Hyun, J.L.; DeCicco, G.J.; Weiss, R.; Chen, M.H.M.; Bass, L.S.; Clardy, J.; Jorgensen, F.S.; Eaton, T.A.; Sarkozi, V.; Petit, C.M.,
Pericyclynes: 'Exploded cycloalkanes' with unusual orbital interactions and conformational properties. MM2 and STO-3G calculations, x-ray crystal structures, photoelectron spectra, and electron transmission spectra,
J. Am. Chem. Soc., 1985, 107, 6556. [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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