1,3,5,7-Octatetrayne
- Formula: C8H2
- Molecular weight: 98.1015
- IUPAC Standard InChI: InChI=1S/C8H2/c1-3-5-7-8-6-4-2/h1-2H
- IUPAC Standard InChIKey: CDGAYCHXIBGGNI-UHFFFAOYSA-N
- CAS Registry Number: 6165-96-4
- 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 as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.09 ± 0.02 | PE | Allan, Heilbronner, et al., 1976 | LLK |
De-protonation reactions
C8H- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 355.0 ± 5.0 | kcal/mol | D-EA | Garand, Yacovitch, et al., 2010 | gas phase; Calns says linear H-terminated structure for anion; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 346.9 ± 5.1 | kcal/mol | H-TS | Garand, Yacovitch, et al., 2010 | gas phase; Calns says linear H-terminated structure for anion; B |
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.
Allan, Heilbronner, et al., 1976
Allan, M.; Heilbronner, E.; Kloster-Jensen, E.; Maier, J.P.,
The {PI}-states of tetraacetylene radical cation,
Chem. Phys. Lett., 1976, 41, 228. [all data]
Garand, Yacovitch, et al., 2010
Garand, E.; Yacovitch, T.I.; Zhou, J.; Sheehan, S.M.; Neumark, D.M.,
Slow photoelectron velocity-map imaging of the CnH- (n=5-9) anions,
Chem. Sci., 2010, 1, 2, 192-201, https://doi.org/10.1039/c0sc00164c
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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