1,5-Dicarbapentaborane(5)
- Formula: C2H5B3
- Molecular weight: 61.494
- CAS Registry Number: 20693-66-7
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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
C2H4B3- + = C2H5B3
By formula: C2H4B3- + H+ = C2H5B3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | <1794.5 | kJ/mol | EIAE | Onak, Howard, et al., 1973 | gas phase; From closo-1,5-C2B3H5. G3MP2B3 calculations indicate a dHacid ca. 387 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 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 |
|---|---|---|---|
| 10.54 | PE | Fehlner, 1975 | LLK |
| 10.9 | PE | Ulman and Fehlner, 1978 | Vertical value; LLK |
De-protonation reactions
C2H4B3- + = C2H5B3
By formula: C2H4B3- + H+ = C2H5B3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | <1794.5 | kJ/mol | EIAE | Onak, Howard, et al., 1973 | gas phase; From closo-1,5-C2B3H5. G3MP2B3 calculations indicate a dHacid ca. 387 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]
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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