Benzo[b]perylene
- Formula: C24H14
- Molecular weight: 302.3680
- IUPAC Standard InChIKey: UXDAAYMFPFYGMU-UHFFFAOYSA-N
- CAS Registry Number: 197-70-6
- 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
6.89 | PE | Clar and Schmidt, 1977 | LLK |
6.92 ± 0.04 | PE | Boschi, Clar, et al., 1974 | LLK |
6.84 | CTS | Briegleb, 1964 | RDSH |
6.51 | CTS | Matsen, 1956 | RDSH |
6.89 | PE | Clar and Schmidt, 1977 | Vertical value; LLK |
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, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5MS | 556.5 | Sauvain and Duc, 2004 | 30. m/0.25 mm/0.25 μm, 60. C @ 3. min, 5. K/min, 320. C @ 20. min |
Capillary | XTI-5 | 544.51 | Engkvist, Borowski, et al., 1996 | 15. m/0.28 mm/0.25 μm, H2, 70. C @ 2. min, 5. K/min; Tend: 350. C |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 586.4 | Lundstedt, Haglund, et al., 2003 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | 5 % Phenyl methyl siloxane | 556.56 | Allen J.O., Durant J.L., et al., 1998 | Program: not specified |
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]
Boschi, Clar, et al., 1974
Boschi, R.; Clar, E.; Schmidt, W.,
Photoelectron spectra of polynuclear aromatics. III. The effect of nonplanarity in sterically overcrowded aromatic hydrocarbons,
J. Chem. Phys., 1974, 60, 4406. [all data]
Briegleb, 1964
Briegleb, G.,
Electron affinity of organic molecules,
Angew. Chem. Intern. Ed., 1964, 3, 617. [all data]
Matsen, 1956
Matsen, F.A.,
Electron affinities, methyl affinities, and ionization energies of condensed ring aromatic hydrocarbons,
J. Chem. Phys., 1956, 24, 602. [all data]
Sauvain and Duc, 2004
Sauvain, J.-J.; Duc, T.V.,
Approaches to identifying and quantifying polycyclic aromatic hydrocarbons of molecular weight 302 in diesel particulates,
J. Sep. Sci., 2004, 27, 1-2, 78-88, https://doi.org/10.1002/jssc.200301620
. [all data]
Engkvist, Borowski, et al., 1996
Engkvist, O.; Borowski, P.; Bemgård, A.; Karlström, G.; Lindh, R.; Colmsjö, A.,
On the relation between retention indexes and the interaction between the solute and the column in gas-liquid chromatography,
J. Chem. Inf. Comput. Sci., 1996, 36, 6, 1153-1161, https://doi.org/10.1021/ci960345u
. [all data]
Lundstedt, Haglund, et al., 2003
Lundstedt, S.; Haglund, P.; Öberg, L.,
Degradation and formation of polycyclic aromatic compounds during bioslurry treatment of an aged gasworks soil,
Environ. Toxicol. Chem., 2003, 22, 7, 1413-1420, https://doi.org/10.1002/etc.5620220701
. [all data]
Allen J.O., Durant J.L., et al., 1998
Allen J.O.; Durant J.L.; Dookeran N.M.; Taghizadeh K.; Plummer E.F.; Lafleur A.L.; Sarofim A.F.; Smith K.A.,
Measurement of C24H14 polycyclic aromatic hydrocarbons associated with a size-segregated urban aerosol,
Environ. Sci. Technol., 1998, 32, 13, 1928-1932, https://doi.org/10.1021/es970919r
. [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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