1,6-Dicarbahexaborane(6)
- Formula: C2H6B4
- Molecular weight: 73.313
- CAS Registry Number: 20693-67-8
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Reaction 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
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Individual Reactions
C2H5B4- + = C2H6B4
By formula: C2H5B4- + H+ = C2H6B4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | <1891.2 | kJ/mol | EIAE | Onak, Howard, et al., 1973 | gas phase; From closo-1,6-C2B4H6. G3MP2B3 calculations indicate a dHacid ca. 378 kcal/mol. |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, References, Notes
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) | 863.8 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 834.8 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.77 | PE | Fehlner, 1975 | LLK |
9.9 | PE | Ulman and Fehlner, 1978 | Vertical value; LLK |
De-protonation reactions
C2H5B4- + = C2H6B4
By formula: C2H5B4- + H+ = C2H6B4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | <1891.2 | kJ/mol | EIAE | Onak, Howard, et al., 1973 | gas phase; From closo-1,6-C2B4H6. G3MP2B3 calculations indicate a dHacid ca. 378 kcal/mol.; B |
References
Go To: Top, Reaction thermochemistry data, 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.
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]
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]
Notes
Go To: Top, Reaction thermochemistry data, 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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