1,2,4,5-Tetrazine
- Formula: C2H2N4
- Molecular weight: 82.0641
- IUPAC Standard InChI: InChI=1S/C2H2N4/c1-3-5-2-6-4-1/h1-2H
- IUPAC Standard InChIKey: HTJMXYRLEDBSLT-UHFFFAOYSA-N
- CAS Registry Number: 290-96-0
- 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: s-Tetrazine; sym-Tetrazine
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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 |
|---|---|---|---|
| 9.14 | PE | Gleiter, Heilbronner, et al., 1972 | LLK |
| 9.24 | PE | Fridh, Asbrink, et al., 1972 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CHN+ | 11.40 | N2+CN+H | PI | Nenner, Dutuit, et al., 1988 | LL |
| CHN4+ | 11.00 | CH | PI | Nenner, Dutuit, et al., 1988 | LL |
| CH2N+ | 10.50 | CN+N2 | PI | Nenner, Dutuit, et al., 1988 | LL |
| C2H2N2+ | 10.20 | N2 | PI | Nenner, Dutuit, et al., 1988 | LL |
| H2N2+ | ≤11.20 | ? | PI | Nenner, Dutuit, et al., 1988 | 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.
Gleiter, Heilbronner, et al., 1972
Gleiter, R.; Heilbronner, E.; Hornung, V.,
Photoelectron spectra of azabenzenes azanaphthalenes: I. Pyridine, diazines s-triazine and s-tetrazine,
Helv. Chim. Acta, 1972, 55, 255. [all data]
Fridh, Asbrink, et al., 1972
Fridh, C.; Asbrink, L.; Jonsson, B.O.; Lindholm, E.,
Rydberg series in small molecules XVIII. Photoelectron, UV, mass, and electron impact spectra of s-tetrazine,
Int. J. Mass Spectrom. Ion Phys., 1972, 9, 485. [all data]
Nenner, Dutuit, et al., 1988
Nenner, I.; Dutuit, O.; Richard-Viard, M.; Morin, P.; Zewail, A.H.,
Synchrotron radiation selected s-tetrazine ion chemistry,
J. Am. Chem. Soc., 1988, 110, 1093. [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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