Dibenzoylmethane
- Formula: C15H12O2
- Molecular weight: 224.2546
- IUPAC Standard InChI: InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
- IUPAC Standard InChIKey: NZZIMKJIVMHWJC-UHFFFAOYSA-N
- CAS Registry Number: 120-46-7
- 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: 1,3-Propanedione, 1,3-diphenyl-; ω-Benzoylacetophenone; Phenyl phenacyl ketone; 1,3-Diphenyl-1,3-propanedione; 2-Benzoylacetophenone; 1,3-Diphenylpropane-1,3-dione; omega-Benzoylacetophenone; Karenzu DK 2; Rhodiastab 83; NSC 6266
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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.3 | PE | McAlduff and Bunbury, 1979 | LLK |
| 8.45 ± 0.05 | PE | McAlduff and Bunbury, 1979 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C9H7O2+ | 10.59 | C6H5 | EST | Takhistov and Ponomarev, 1994 | LL |
| C9H7O2+ | 11.73 | C6H5 | EI | Takhistov and Ponomarev, 1994 | Unpublished result of N.S.Khlebnikova, V.M.Orlov, D.A.Ponomarev, and V.V.Takhistov; LL |
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.
McAlduff and Bunbury, 1979
McAlduff, E.J.; Bunbury, D.L.,
Photoelectron spectra of some aromatic mono-and di-ketones,
J. Electron Spectrosc. Relat. Phenom., 1979, 17, 81. [all data]
Takhistov and Ponomarev, 1994
Takhistov, V.V.; Ponomarev, D.A.,
Isodesmic reactions and thermochemistry of ions,
Org. Mass Spectrom., 1994, 29, 395. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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