- Formula: C42H18
- Molecular weight: 522.5923
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: IVJZBYVRLJZOOQ-UHFFFAOYSA-N
- CAS Registry Number: 190-24-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 1:12,2:3,4:5,6:7,8:9,10:11-Hexabenzocoronene; Hexabenzo[bc,ef,hi,kl,no,qr]coronene
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- Information on this page:
Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), 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
|7.1 ± 0.1||EI||Gallegos, 1968||RDSH|
|6.87 ± 0.02||PE||Clar and Schmidt, 1978||Vertical value; LLK|
|6.87||PE||Clar and Schmidt, 1977||Vertical value; LLK|
|6.89||PE||Clar and Schmidt, 1976||Vertical value; LLK|
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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|Owner||NIST Mass Spectrometry Data Center|
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
|NIST MS number||162299|
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Gallegos, E.J., Mass spectrometry and ionization energies of some condensed-ring aromatic and heterocyclic compounds, J. Phys. Chem., 1968, 72, 3452. [all data]
Clar and Schmidt, 1978
Clar, E.; Schmidt, W., Correlations between photoelectron and ultravioet absorption spectra of polycyclic hydrocarbons. The terrylene and peropyrene series, Tetrahedron, 1978, 34, 3219. [all data]
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]
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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