Bis(cyclopentadienyl)hafnium dichloride
- Formula: C10H10Cl2Hf
- Molecular weight: 379.58
- IUPAC Standard InChI: InChI=1S/2C5H5.2ClH.Hf/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
- IUPAC Standard InChIKey: UHCOEQZUSAFLHQ-UHFFFAOYSA-L
- CAS Registry Number: 12116-66-4
- 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: Hafnocene dichloride; bis(η5-Cyclopentadienyl)hafnium dichloride; Hafnium, dichlorobis(η(5)-2,4-cyclopentadien-1-yl)-; Dichlorobis(η-cyclopentadienyl)hafnium; Dichlorodi-π-cyclopentadienylhafnium; Dichlorodicyclopentadienylhafnium; Dicyclopentadienylhafnium dichloride; Hafnium dicyclopentadiene dichloride; Hafnium, dichlorodi-π-cyclopentadienyl-; Bis(cyclopentadienyl)hafnium(IV) dichloride; NSC 102788; dichlorobis(η5-cyclopenta-2,4-dien-1-yl)hafnium
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change 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 by: José A. Martinho Simões
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -428.4 ± 4.3 | kJ/mol | Review | Martinho Simões |
Condensed phase 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: José A. Martinho Simões
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -535.1 ± 3.8 | kJ/mol | Review | Martinho Simões | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -5991.5 ± 2.5 | kJ/mol | CC-SB | Kir'yanov, Tel'noi, et al., 1976 | Please also see Tel'noi and Rabinovich, 1977. The enthalpy of combustion was quoted from Tel'noi and Rabinovich, 1977. |
Phase change 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:
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 107.3 ± 2.4 | kJ/mol | N/A | KISER, DILLARD, et al., 2009 | See also Diogo, Minas da Piedade, et al., 2001.; AC |
| ΔsubH° | 110.2 ± 2.9 | kJ/mol | ME | Diogo, Minas da Piedade, et al., 2001 | AC |
| ΔsubH° | 106.7 ± 2.1 | kJ/mol | N/A | Pilcher and Skinner, 1983 | See also Kir'yanov, Tel'noi, et al., 1976.; AC |
| ΔsubH° | 106.7 ± 2.1 | kJ/mol | CC-SB | Kir'yanov, Tel'noi, et al., 1976 | Another value for the enthalpy of sublimation has been reported: 100.4 ± 1.3 kJ/mol Balducci, Bardi, et al., 1977; MS |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 100.3 | 420.5 | A | Stephenson and Malanowski, 1987 | Based on data from 394. - 447. K.; AC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Martinho Simões
Martinho Simões, J.A.,
Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]
Kir'yanov, Tel'noi, et al., 1976
Kir'yanov, K.V.; Tel'noi, V.I.; Vasil'eva, G.A.; Rabinovich, I.B.,
Dokl. Akad. Nauk SSSR, 1976, 231, 1021. [all data]
Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B.,
Russ. Chem. Rev., 1977, 46, 689. [all data]
KISER, DILLARD, et al., 2009
KISER, ROBERT W.; DILLARD, JOHN G.; DUGGER, DONALD L.,
Mass Spectrometry of Inorganic Halides, 2009, 153-180, https://doi.org/10.1021/ba-1968-0072.ch012
. [all data]
Diogo, Minas da Piedade, et al., 2001
Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Gonçalves, Jorge M.; Monte, Manuel J.S.; Ribeiro da Silva, Manuel A.V.,
Enthalpies of Sublimation of M(η5-C5H5)2Cl2 (M = Ti, Zr, Hf, V, Nb, W) Complexes,
Eur. J. Inorg. Chem., 2001, 2001, 1, 257-262, https://doi.org/10.1002/1099-0682(20011)2001:1<257::AID-EJIC257>3.0.CO;2-2
. [all data]
Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A.,
Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2
. [all data]
Balducci, Bardi, et al., 1977
Balducci, G.; Bardi, G.; de Maria, G.; Gigli, R.,
VII All-Union Calorimetry Conference, Moscow, 1977. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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