2,4-Dicarbaheptaborane(7)
- Formula: C2H7B5
- Molecular weight: 85.132
- CAS Registry Number: 20693-69-0
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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 166.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 158.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.54 | PE | Fehlner, 1975 | LLK |
| 10.6 | PE | Ulman and Fehlner, 1978 | Vertical value; LLK |
De-protonation reactions
C2H6B5- + = C2H7B5
By formula: C2H6B5- + H+ = C2H7B5
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | <452.00 | kcal/mol | EIAE | Onak, Howard, et al., 1973 | gas phase; From closo-2,4-C2B5H7. Computations indicate dHacid ca. 371 kcal/mol; B |
References
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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]
Fehlner, 1975
Fehlner, T.P.,
Photoelectron spectroscopy of closo-carboranes. Observation of exo-polyhedral molecular orbitals,
Inorg. Chem., 1975, 14, 934. [all data]
Ulman and Fehlner, 1978
Ulman, J.A.; Fehlner, T.P.,
Ultraviolet photoelectron spectroscopy of boranes and carboranes. Five-, six-, and seven- atom frameworks,
J. Am. Chem. Soc., 1978, 100, 449. [all data]
Onak, Howard, et al., 1973
Onak, T.; Howard, J.; Brown, C.,
Negative Ion Mass Spectrometry of closo-Carboranes, J. Chem. Soc. Dalton 76, 1973. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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