Iron pentacarbonyl
- Formula: C5FeO5
- Molecular weight: 195.895
- IUPAC Standard InChI: InChI=1S/5CO.Fe/c5*1-2;
- IUPAC Standard InChIKey: FYOFOKCECDGJBF-UHFFFAOYSA-N
- CAS Registry Number: 13463-40-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Iron carbonyl (Fe(CO)5), (TB-5-11)-; Iron carbonyl (Fe(CO)5); Pentacarbonyl iron; Fe(CO)5; Iron carbonyl
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Ion clustering 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: C8H7O2- + C5FeO5 = (C8H7O2- • C5FeO5)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 45.0 ± 6.0 | kcal/mol | IMRB | Lane, Sallans, et al., 1985 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 35.5 ± 6.0 | kcal/mol | IMRB | Lane, Sallans, et al., 1985 | gas phase |
+
= (
•
)
By formula: Cl- + C5FeO5 = (Cl- • C5FeO5)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.9 ± 3.0 | kcal/mol | IMRB | Lane, Sallans, et al., 1985 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.9 ± 3.0 | kcal/mol | IMRB | Lane, Sallans, et al., 1985 | gas phase |
+
= (
•
)
By formula: F- + C5FeO5 = (F- • C5FeO5)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 40.9 ± 2.0 | kcal/mol | IMRE | Lane, Sallans, et al., 1985 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 34.4 ± 2.0 | kcal/mol | IMRE | Lane, Sallans, et al., 1985 | gas phase |
+
= (
•
)
By formula: H- + C5FeO5 = (H- • C5FeO5)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 56.2 ± 3.0 | kcal/mol | IMRB | Lane, Sallans, et al., 1985 | gas phase |
By formula: HO- + C5FeO5 = (HO- • C5FeO5)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 60.8 ± 3.4 | kcal/mol | IMRE | Sunderlin and Squires, 1993 | gas phase; HO- transfer equilibrium to SO2. Structure thought ot be (CO)4Fe-CO2H |
| ΔrH° | 56.7 ± 4.0 | kcal/mol | IMRB | Lane, Sallans, et al., 1985 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 46.8 ± 4.0 | kcal/mol | IMRB | Lane, Sallans, et al., 1985 | gas phase |
References
Go To: Top, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lane, Sallans, et al., 1985
Lane, K.R.; Sallans, L.; Squires, R.R.,
Anion affinities of transition metal carbonyls. A thermochemical correlation for iron tetracarbonyl acyl negative ions,
J. Am. Chem. Soc., 1985, 107, 5369. [all data]
Sunderlin and Squires, 1993
Sunderlin, L.S.; Squires, R.R.,
Energetics and Mechanism of the Thermal Decarboxylation of (CO)4FeCOOH- in the Gas Phase,
J. Am. Chem. Soc., 1993, 115, 1, 337, https://doi.org/10.1021/ja00054a048
. [all data]
Notes
Go To: Top, Ion clustering data, References
- Symbols used in this document:
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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