o-benzyne radical anion
- Formula: C6H4-
- Molecular weight: 76.0965
- CAS Registry Number: 100569-88-8
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Gas phase thermochemistry 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 by: John E. Bartmess
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 395. ± 15. | kJ/mol | R-EA | Wenthold, Squires, et al., 1998 | Triplet state 37.5±0.3 kcal/mol up. |
ΔfH°gas | <433.04 | kJ/mol | IMRB | Bruins, Ferrer-Correia, et al., 1978 | O- + C6H6 -> , D label indicates ortho loss |
References
Go To: Top, Gas phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wenthold, Squires, et al., 1998
Wenthold, P.G.; Squires, R.R.; Lineberger, W.C.,
Ultraviolet photoelectron spectroscopy of the o-, m-, and p-benzyne negative ions. Electron affinities and singlet-triplet splittings for o-, m-, and p-benzyne,
J. Am. Chem. Soc., 1998, 120, 21, 5279-5290, https://doi.org/10.1021/ja9803355
. [all data]
Bruins, Ferrer-Correia, et al., 1978
Bruins, A.P.; Ferrer-Correia, A.J.; Harrison, A.G.; Jennings, K.R.; Mithcum, R.K.,
Negative ion chemical ionization mass spectrometry of some aromatic compounds using O-. as the reagent ion,
Adv. Mass Spectrom., 1978, 7, 355. [all data]
Notes
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- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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