1,2,4,5-Tetrazine, hexahydro-1,2,4,5-tetramethyl-
- Formula: C6H16N4
- Molecular weight: 144.2180
- IUPAC Standard InChI: InChI=1S/C6H16N4/c1-7-5-9(3)10(4)6-8(7)2/h5-6H2,1-4H3
- IUPAC Standard InChIKey: FTQDWTRRRXIFSL-UHFFFAOYSA-N
- CAS Registry Number: 20717-38-8
- 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: 1,2,4,5-Tetramethyl-1,2,4,5-tetraazinane; 1,2,4,5-Tetraazacyclohexane, 1,2,4,5-tetramethyl-; s-Tetrazine, hexahydro-1,2,4,5-tetramethyl-
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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 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
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 6.84 ± 0.05 | EQ | Rumack, 1986 | LBLHLM |
| 7.90 | PE | Katritzky, Baker, et al., 1980 | Vertical value; LLK |
| 7.90 | PE | Bock, Kaim, et al., 1980 | Vertical value; LLK |
| 7.90 | PE | Rademacher and Koopman, 1975 | Vertical value; LLK |
| 7.90 | PE | Rademacher, 1974 | Vertical value; LLK |
| 9.00 | PE | Rademacher, 1974 | 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.
Rumack, 1986
Rumack, D.,
Title unavailable,
Personal communication to S.G. Lias, 1986. [all data]
Katritzky, Baker, et al., 1980
Katritzky, A.R.; Baker, V.J.; Brito-Palma, F.M.S.; Patel, R.C.; Pfister-Guillouzo, G.; Guimon, C.,
Conformational analysis of saturated J. Heterocycl. Chem.. Part 94. Applications of photoelectron spectroscopy to molecular properties. Part 3. Photoelectron spectroscopic studies of some 1-oxa-3,4-diaza-, 1-thia-3,4-diaza-, 1,2,4-triaza-, and 1,2,4,5-tetraaza-cyclohexanes,.,
J. Chem. Soc. Perkin Trans. 2, 1980, 91. [all data]
Bock, Kaim, et al., 1980
Bock, H.; Kaim, W.; Noth, H.; Semkow, A.,
A radical ions. 36. Structural changes accompanying the one-electron oxidation of hydrazine and its silyl derivatives,
J. Am. Chem. Soc., 1980, 102, 4421. [all data]
Rademacher and Koopman, 1975
Rademacher, P.; Koopman, H.,
Cyclische und bicyclische Hydrazine,
Chem. Ber., 1975, 108, 1557. [all data]
Rademacher, 1974
Rademacher, P.,
Photoelectron spectra and conformation of cyclic N,N'-dimethylhydrazines,
Tetrahedron Lett., 1974, 83. [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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