1,5-Dicarbapentaborane(5)
- Formula: C2H5B3
- Molecular weight: 61.494
- CAS Registry Number: 20693-66-7
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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 |
|---|---|---|---|
| 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
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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
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- 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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