1,6-Diazabicyclo[4.4.0]decane
- Formula: C8H16N2
- Molecular weight: 140.2260
- IUPAC Standard InChI: InChI=1S/C8H16N2/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H2
- IUPAC Standard InChIKey: RSIWLHLUUQGERP-UHFFFAOYSA-N
- CAS Registry Number: 3661-15-2
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 233.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 226.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 6.71 ± 0.05 | EQ | Rumack, 1986 | LBLHLM |
| 8.76 | PE | Nelsen, 1984 | Vertical value; LBLHLM |
| 7.61 | PE | Nelsen, Peacock, et al., 1976 | Vertical value; LLK |
| 7.60 | PE | Nelsen and Buschek, 1974 | Vertical value; LLK |
| 7.608 | PE | Nelsen and Buschek, 1974, 2 | Vertical value; LLK |
| 7.59 | PE | Nelsen and Buschek, 1973 | 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.
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]
Rumack, 1986
Rumack, D.,
Title unavailable,
Personal communication to S.G. Lias, 1986. [all data]
Nelsen, 1984
Nelsen, S.F.,
Ionization from nitrogen and oxygen lone pairs: A comparison of trialkylamine, dialkyl ether, tetraalkylhydrazine, and dialkyl peroxide photoelectron spectroscopic ionization potentials,
J. Org. Chem., 1984, 49, 1891. [all data]
Nelsen, Peacock, et al., 1976
Nelsen, S.F.; Peacock, V.; Weisman, G.R.,
Single-electron oxidation equilibria of tetraalkylhydrazines. Comparison of solution E° values and vapor-phase ionization potentials,
J. Am. Chem. Soc., 1976, 98, 5269. [all data]
Nelsen and Buschek, 1974
Nelsen, S.F.; Buschek, J.M.,
Photoelectron spectra of hydrazines. V. Pyrazolidine and hexahydropyridazine derivatives,
J. Am. Chem. Soc., 1974, 96, 6987. [all data]
Nelsen and Buschek, 1974, 2
Nelsen, S.F.; Buschek, J.M.,
Photoelectron spectra of hydrazines. IV. Empirical estimation of lone pair-lone pair dihedral angles and prediction of lone pair ionization potentials for some cyclic and bicyclic hydrazines,
J. Am. Chem. Soc., 1974, 96, 6982. [all data]
Nelsen and Buschek, 1973
Nelsen, S.F.; Buschek, J.M.,
Photoelectron spectra of hydrazines. I. Dependence of the lone pair-lone pair splitting on dihedral angle for tetraalkylhydrazines,
J. Am. Chem. Soc., 1973, 95, 2011. [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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