Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)-
- Formula: C15H16N2O2S
- Molecular weight: 288.365
- IUPAC Standard InChI: InChI=1S/C15H16N2O2S/c1-4-17(5-2)11-6-7-12-10(3)14(20-9-16)15(18)19-13(12)8-11/h6-8H,4-5H2,1-3H3
- IUPAC Standard InChIKey: KGDNJUMHXJGLRF-UHFFFAOYSA-N
- CAS Registry Number: 114171-77-6
- Chemical structure:
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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 by: Sharon G. Lias and Joel F. Liebman
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.75 | PE | Redchenko, Safronov, et al., 1992 | Vertical value |
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.
Redchenko, Safronov, et al., 1992
Redchenko, V.V.; Safronov, A.I.; Kirpichenok, M.A.; Grandberg, I.I.; Traven', V.F.,
Electronic structure of π-systems. XV. Photoelectron spectra of 7-aminocoumarin derivatives,
J. Gen. Chem. USSR, 1992, 62, 2313. [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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