Diborane(4)
- Formula: B2H4
- Molecular weight: 25.654
- CAS Registry Number: 18099-45-1
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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
LL - Sharon G. Lias and Joel F. Liebman
View reactions leading to H4B2+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.70 ± 0.02 | PI | Ruscic, Schwarz, et al., 1989 | LL |
| 10.4 | PI | Ruscic, Schwarz, et al., 1989 | Vertical value; LL |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| B2H2+ | 11.54 ± 0.03 | H2 | PI | Ruscic, Schwarz, et al., 1989 | LL |
De-protonation reactions
H3B2- + = H4B2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1537. ± 21. | kJ/mol | G+TS | Krempp, Damrauer, et al., 1994 | gas phase; Between tBuOH, pyrrole; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1506. ± 21. | kJ/mol | IMRB | Krempp, Damrauer, et al., 1994 | gas phase; Between tBuOH, pyrrole; B |
References
Go To: Top, 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.
Ruscic, Schwarz, et al., 1989
Ruscic, B.; Schwarz, M.; Berkowitz, J.,
Molecular structure and thermal stability of B2H4 and B2H4+ species,
J. Chem. Phys., 1989, 91, 4576. [all data]
Krempp, Damrauer, et al., 1994
Krempp, M.; Damrauer, R.; Depuy, C.H.; Keheyan, Y.,
Gas-Phase Ion Chemistry of Boron Hydride Anions,
J. Am. Chem. Soc., 1994, 116, 8, 3629, https://doi.org/10.1021/ja00087a071
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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