Benzo[a]coronene
- Formula: C28H14
- Molecular weight: 350.4108
- IUPAC Standard InChI: InChI=1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H
- IUPAC Standard InChIKey: NQSLOOOUQZYGEB-UHFFFAOYSA-N
- CAS Registry Number: 190-70-5
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, Gas Chromatography, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.08 | PE | Clar and Schmidt, 1977 | |
| 7.08 | PE | Clar and Schmidt, 1977 | Vertical value |
| 7.08 | PE | Clar and Schmidt, 1976 | Vertical value |
Gas Chromatography
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
Lee's RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 8 CB | 655.84 | Bemgard, Colmsjo, et al., 1992 | Column length: 25. m; Column diameter: 0.32 mm; Program: 140C (2min) => (rapidly) => 200C(2min) => 5C/min => 370C |
| Capillary | XTI-5 | 656.34 | Bemgard, Colmsjo, et al., 1992 | Column length: 15. m; Column diameter: 0.28 mm; Program: 140C (2min) => (rapidly) => 200C(2min) => 5C/min => 370C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Clar and Schmidt, 1977
Clar, E.; Schmidt, W.,
Correlations between photoelectron and ultraviolet absorption spectra of polycyclic hydrocarbons. The perylene, coronene and bisanthene series,
Tetrahedron, 1977, 33, 2093. [all data]
Clar and Schmidt, 1976
Clar, E.; Schmidt, W.,
Correlations between photoelectron and phosphorescence spectra of polycyclic hydrocarbons,
Tetrahedron, 1976, 32, 2563. [all data]
Bemgard, Colmsjo, et al., 1992
Bemgard, A.; Colmsjo, A.; Lundmark, B.-O.,
Gas chromatographic analysis of high-molecular-weight polynuclear aromatic hydrocarbons. I. Molecular weight 328,
J. Chromatogr., 1992, 595, 1-2, 247-258, https://doi.org/10.1016/0021-9673(92)85167-R
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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