Anthracene,9-(1,1-dimethylethyl)-
- Formula: C18H18
- Molecular weight: 234.3355
- IUPAC Standard InChI: InChI=1S/C18H18/c1-18(2,3)17-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)17/h4-12H,1-3H3
- IUPAC Standard InChIKey: GWJJSVKKSBCHJD-UHFFFAOYSA-N
- CAS Registry Number: 13719-97-6
- 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: 9-t-Butylanthracene
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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 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 |
|---|---|---|---|
| 7.13 | PE | Klasinc, Kovac, et al., 1983 | LBLHLM |
| 7.13 | PE | Klasinc, Kovac, et al., 1978 | LLK |
| 7.13 ± 0.03 | PE | Klasinc, Kovac, et al., 1983 | Vertical value; LBLHLM |
| 7.13 ± 0.03 | PE | Klasinc, Kovac, et al., 1978 | 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.
Klasinc, Kovac, et al., 1983
Klasinc, L.; Kovac, B.; Gusten, H.,
Photoelectron spectra of acenes. Electronic structure and substituent effects,
Pure Appl. Chem., 1983, 55, 289. [all data]
Klasinc, Kovac, et al., 1978
Klasinc, L.; Kovac, B.; Schoof, S.; Gusten, H.,
Photoelectron spectroscopy of 9-substituted anthracenes,
Croat. Chem. Acta., 1978, 51, 307. [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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