Diborane(4)
- Formula: B2H4
- Molecular weight: 25.654
- CAS Registry Number: 18099-45-1
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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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
H3B2- + = H4B2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 367.3 ± 5.1 | kcal/mol | G+TS | Krempp, Damrauer, et al., 1994 | gas phase; Between tBuOH, pyrrole |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 360.0 ± 5.0 | kcal/mol | IMRB | Krempp, Damrauer, et al., 1994 | gas phase; Between tBuOH, pyrrole |
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° | 367.3 ± 5.1 | kcal/mol | G+TS | Krempp, Damrauer, et al., 1994 | gas phase; Between tBuOH, pyrrole; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 360.0 ± 5.0 | kcal/mol | IMRB | Krempp, Damrauer, et al., 1994 | gas phase; Between tBuOH, pyrrole; B |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Notes
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- 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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