o-Phenanthroline
- Formula: C12H8N2
- Molecular weight: 180.2053
- IUPAC Standard InChI: InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
- IUPAC Standard InChIKey: DGEZNRSVGBDHLK-UHFFFAOYSA-N
- CAS Registry Number: 66-71-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1,10-Phenanthroline; β-Phenanthroline; Phenanthroline; 1,10-o-Phenanthroline; 4,5-Diazaphenanthrene; 1,10-Fenanthrolin; Orthophenanthroline; Activ-8 in hexylene glycol; Solution forms containing 1,10-phenanthroline
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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:
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Gas basicity at 298K
| Gas basicity (review) (kJ/mol) | Reference | Comment |
|---|---|---|
| >908. | Shen and Brodbelt, 1998 | GB > 18-Crown-6. From PT bracketing at nominal 300 K, but ion energies are undefined. Reference GB readjusted to Hunter and Lias, 1998; MM |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.3 | PE | Hush, Cheung, et al., 1975 | LLK |
| 8.51 ± 0.02 | PE | Hush, Cheung, et al., 1975 | Vertical value; LLK |
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.
Shen and Brodbelt, 1998
Shen, J.; Brodbelt, J.,
Evaluation of proton-binding capabilities of polyether and pyridyl ligands,
J. Mass Spectrom., 1998, 33, 118. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Hush, Cheung, et al., 1975
Hush, N.S.; Cheung, A.S.; Hilton, P.R.,
Binding energies of π- and "lone pair"-levels in mono- and diaza-phenanthrenes and anthracenes: an He(I) photoelectron spectroscopic study,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 385. [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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